Products for Research Use Only
RegisterLogin

Soyasaponin Ac

CAT: 0931-TN2229Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN2229Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
133882-74-3
Target
Others
Related Pathways
Others
Bioactivity
Soyasaponin Ac can decrease the drug resistance via EMT pathway and weaken the migration ability of ovarian cancer cells.
Smiles
C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C7[C@@]2(C)CC[C@]8(C)[C@]7(CC(C)(C)[C@@H](O)[C@H]8O[C@H]9[C@H](O)[C@@H](O[C@H]%10[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O%10)[C@@H](O)CO9)[H])[H]
Molecular Formula
C67H104O32
Molecular Weight
1421.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Soyosaponin Ac
CAS Number133882-74-3
PubChem CID137796351
IUPAC Name5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[[9-[3,5-dihydroxy-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-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]-3,4-dihydroxyoxane-2-carboxylic acid
Molecular FormulaC67H104O32
Molecular Weight1421.5
XLogP-0.2
Topological Polar Surface Area478
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count32
Rotatable Bond Count22
Heavy Atom Count99
Formal Charge0
Complexity2940
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C67H104O32/c1-26-39(75)41(77)45(81)58(88-26)97-50-42(78)40(76)34(22-68)92-59(50)98-51-44(80)43(79)49(56(84)85)96-60(51)94-38-16-17-64(9)36(65(38,10)25-69)15-18-67(12)37(64)14-13-31-32-21-62(6,7)54(83)55(63(32,8)19-20-66(31,67)11)99-57-46(82)47(33(74)23-87-57)95-61-53(91-30(5)73)52(90-29(4)72)48(89-28(3)71)35(93-61)24-86-27(2)70/h13,26,32-55,57-61,68-69,74-83H,14-25H2,1-12H3,(H,84,85)
InChIKey
ZWQKNJJAVDRYFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Soyosaponin Ac
CAS: 133882-74-3
CID: 137796351
Formula: C67H104O32
MW: 1421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1421.5
XLogP3-0.2
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count32
Rotatable Bond Count22
Exact Mass1420.6510711
Monoisotopic Mass1420.6510711
Topological Polar Surface Area478 Ų
Heavy Atom Count99
Formal Charge0
Complexity2940
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count35
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN2231Soyasaponin II
TN5040-01Soyasaponin IV
T13897-01Soyasaponin III
T81123-01Soyasaponin Ae
T81122-01Soyasaponin Af
T124217-01Soyasaponin A1
TN2230-01Soyasaponin Ba
TN2228-01Soyasaponin Aa
T3S0335-01Soyasaponin Bb
TN2232-01Soyasaponin Ab

Alternative Products

CatalogName
301005Soyasaponin Bb (Soyasaponin I)
TBZ2930Soyasaponin Be
N2168-20Soyasaponin BB
N2143-20Soyasaponin Ba
FS65454Soyasaponin I
SEA23032-01Soyasaponin af
TBZ2948Soyasaponin Bd
TBZ0879Soyasaponin A6
TBW01654Soyasaponin III
301003Soyasaponin Ab

Popular Products