Products for Research Use Only
RegisterLogin

Soyasaponin Aa

CAT: 0931-TN2228-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN2228-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
117230-33-8
Target
PPAR
Related Pathways
DNA Damage/DNA Repair, Metabolism
Purity
0.9946
Bioactivity
Soyasaponin Aa is a natural saponin capable of downregulating PPARγ and C/EBPα in 3T3-L1 adipocytes, exhibiting anti-adipogenic effects.
Smiles
[H][C@@]1(O[C@@H]2[C@H](O)C(C)(C)C[C@@]3([H])C4=CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(O)=O)[C@](C)(CO)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC[C@@]23C)OC[C@H](O)[C@H](O[C@]2([H])OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1O
Molecular Formula
C64H100O31
Molecular Weight
1365.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SoyasaponinAA

SoyasaponinAA has been reported in Glycine max with data available.

CAS Number117230-33-8
PubChem CID101602226
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Molecular FormulaC64H100O31
Molecular Weight1365.5
XLogP-0.6
Topological Polar Surface Area471
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count31
Rotatable Bond Count20
Heavy Atom Count95
Formal Charge0
Complexity2780
SMILES
CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]2[C@H](CO[C@H]([C@@H]2O)O[C@@H]3[C@@H](C(C[C@@H]4[C@]3(CC[C@@]5(C4=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)C)(C)C)O)O
InChI
InChI=1S/C64H100O31/c1-25(68)85-33-23-84-56(50(87-27(3)70)46(33)86-26(2)69)91-45-30(71)22-83-54(44(45)79)95-52-51(80)59(4,5)19-29-28-11-12-35-61(7)15-14-36(62(8,24-67)34(61)13-16-64(35,10)63(28,9)18-17-60(29,52)6)90-58-49(42(77)41(76)47(92-58)53(81)82)94-57-48(40(75)38(73)32(21-66)89-57)93-55-43(78)39(74)37(72)31(20-65)88-55/h11,29-52,54-58,65-67,71-80H,12-24H2,1-10H3,(H,81,82)/t29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+,44+,45-,46-,47-,48+,49+,50+,51-,52+,54-,55-,56-,57-,58+,60+,61-,62+,63+,64+/m0/s1
InChIKey
KBGJRGWLUHSDLW-HCOXMXEYSA-N
Chemical Structure
2D Structure
2D structure of SoyasaponinAA
CAS: 117230-33-8
CID: 101602226
Formula: C64H100O31
MW: 1365.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1365.5
XLogP3-0.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count31
Rotatable Bond Count20
Exact Mass1364.6248564
Monoisotopic Mass1364.6248564
Topological Polar Surface Area471 Ų
Heavy Atom Count95
Formal Charge0
Complexity2780
Isotope Atom Count0
Defined Atom Stereocenter Count34
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN2231Soyasaponin II
TN2229Soyasaponin Ac
TN5040-01Soyasaponin IV
T13897-01Soyasaponin III
T81123-01Soyasaponin Ae
T81122-01Soyasaponin Af
T124217-01Soyasaponin A1
TN2230-01Soyasaponin Ba
TN2232-01Soyasaponin Ab
T3S0335-01Soyasaponin Bb

Alternative Products

CatalogName
301005Soyasaponin Bb (Soyasaponin I)
TBZ2930Soyasaponin Be
N2168-20Soyasaponin BB
N2143-20Soyasaponin Ba
SEA23032-01Soyasaponin af
FS65454Soyasaponin I
301003Soyasaponin Ab
AB1970Soyasaponin Ae
TBZ2948Soyasaponin Bd
TBZ0879Soyasaponin A6

Popular Products