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Dioscin 10mg

CAT: 0628-A10314-10Size: 10 mgDry Ice: NoHazardous: No
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CAS Number
19057-60-4

Chemical Information

(+)-Dioscin

Dioscin is a spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(14)-[alpha-L-Rha-(12)]-beta-D-Glc attached to position 3 of diosgenin via a glycosidic linkage. It has a role as an antiviral agent, a metabolite, an antineoplastic agent, an antifungal agent, an EC 1.14.18.1 (tyrosinase) inhibitor, a hepatoprotective agent, an anti-inflammatory agent and an apoptosis inducer. It is a spirostanyl glycoside, a trisaccharide derivative, a hexacyclic triterpenoid and a spiroketal. It is functionally related to a diosgenin. It derives from a hydride of a spirostan.

CAS Number19057-60-4
PubChem CID119245
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC45H72O16
Molecular Weight869.0
XLogP1.3
Topological Polar Surface Area236
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count61
Formal Charge0
Complexity1600
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)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)C)O)O)O)C)C)C)OC1
InChI
InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChIKey
VNONINPVFQTJOC-ZGXDEBHDSA-N
Chemical Structure
2D Structure
2D structure of (+)-Dioscin
CAS: 19057-60-4
CID: 119245
Formula: C45H72O16
MW: 869.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight869.0
XLogP31.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass868.48203620
Monoisotopic Mass868.48203620
Topological Polar Surface Area236 Ų
Heavy Atom Count61
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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