Products for Research Use Only
RegisterLogin

Dipsacus saponin XII

CAT: 0804-HY-N15231-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N15231-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Dipsacus saponin XII (compound 6) is a triterpenoid saponin that stimulates the proliferation of UMR106 cells and increases alkaline phosphatase activity in UMR106 cells (4 μM) [1].
CAS Number
149558-32-7
UNSPSC
12352005
Target
Endogenous Metabolite; Phosphatase
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC[C@H]([C@H]([C@@H]([C@H]2O)O)O)O[C@H]2OC([C@]34[C@](CC(C)(CC4)C)([H])C5=CC[C@@]([C@@]6([C@@]([C@@](C)([C@H](CC6)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]%10O[C@@H]([C@H]([C@@H]([C@H]%10O)O)O)CO)O[C@H]%11[C@@H]([C@@H]([C@H]([C@@H](O%11)C)O)O)O)O)O)CO)([H])CC%12)C)([H])[C@]%12(C)[C@@]5(CC3)C)=O
Molecular Formula
C71H116O36
Molecular Weight
1545.66
References & Citations
[1]Liu JJ, et al. Triterpenoid saponins from Dipsacus asper and their activities in vitro. J Asian Nat Prod Res. 2011 Sep;13 (9) :851-60.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dipsacus saponin XII
CAS Number149558-32-7
PubChem CID101033584
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC71H116O36
Molecular Weight1545.7
XLogP-5.1
Topological Polar Surface Area571
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count36
Rotatable Bond Count20
Heavy Atom Count107
Formal Charge0
Complexity3030
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O[C@@H]4[C@H]([C@@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H](CO[C@H]5O[C@H]6CC[C@]7([C@H]([C@]6(C)CO)CC[C@@]8([C@@H]7CC=C9[C@]8(CC[C@@]1([C@H]9CC(CC1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C)C)C)O)O)C)O)O)O)O)O
InChI
InChI=1S/C71H116O36/c1-26-38(77)44(83)49(88)59(96-26)105-56-53(92)63(100-33(22-74)54(56)103-60-50(89)46(85)42(81)32(21-73)99-60)104-55-39(78)27(2)97-62(52(55)91)106-57-40(79)30(76)23-94-64(57)102-37-12-13-67(5)35(68(37,6)25-75)11-14-70(8)36(67)10-9-28-29-19-66(3,4)15-17-71(29,18-16-69(28,70)7)65(93)107-61-51(90)47(86)43(82)34(101-61)24-95-58-48(87)45(84)41(80)31(20-72)98-58/h9,26-27,29-64,72-92H,10-25H2,1-8H3/t26-,27-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-,62-,63-,64-,67-,68-,69+,70+,71-/m0/s1
InChIKey
JXHAMIGJJBXOBS-XUKQIFRKSA-N
Chemical Structure
2D Structure
2D structure of Dipsacus saponin XII
CAS: 149558-32-7
CID: 101033584
Formula: C71H116O36
MW: 1545.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1545.7
XLogP3-5.1
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count36
Rotatable Bond Count20
Exact Mass1544.7246300
Monoisotopic Mass1544.7246300
Topological Polar Surface Area571 Ų
Heavy Atom Count107
Formal Charge0
Complexity3030
Isotope Atom Count0
Defined Atom Stereocenter Count43
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N15723-01Dipsacus saponin A
HY-N15220-01Dipsacus saponin X
HY-N15719Dipsacus saponin R
HY-107235Saponin CP6
HY-107233Saponin CP4
HY-N15218Akebia saponin F
HY-N15147Panax saponin C
HY-N15146-01Aralia-saponin I
HY-N0834-01Pulsatilla saponin D
HY-N6068-01Pulsatilla saponin H

Alternative Products

CatalogName
TN11535-01Dipsacus saponin A
TN11520-01Dipsacus saponin R
GTR19233314-01Dipsacus saponin X
TN8412-01Dipsacus saponin XII
40130012-2Saponin

Popular Products