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Diosgenin glucoside 5mg

CAT: 0628-A12885-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12885-5Size:5 mg
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CAS Number
14144-06-0

Chemical Information

Trillin

Diosgenin 3-O-beta-D-glucoside is a sterol 3-beta-D-glucoside having diosgenin as the sterol component. It has a role as a metabolite. It is a sterol 3-beta-D-glucoside, a monosaccharide derivative, a hexacyclic triterpenoid and a spiroketal. It is functionally related to a diosgenin. It derives from a hydride of a spirostan.

CAS Number14144-06-0
PubChem CID11827970
IUPAC Name(2R,3S,4S,5R,6R)-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]oxyoxane-3,4,5-triol
Molecular FormulaC33H52O8
Molecular Weight576.8
XLogP4.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count41
Formal Charge0
Complexity1030
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)O)O)C)C)C)OC1
InChI
InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
InChIKey
WXMARHKAXWRNDM-GAMIEDRGSA-N
Chemical Structure
2D Structure
2D structure of Trillin
CAS: 14144-06-0
CID: 11827970
Formula: C33H52O8
MW: 576.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.8
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass576.36621861
Monoisotopic Mass576.36621861
Topological Polar Surface Area118 Ų
Heavy Atom Count41
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TB0457Diosgenin glucoside
HY-N0730R-01Diosgenin glucoside (Standard)
TBW00471Diosgenin-3-O-β-D-xylosyl-(1→3)-β-glucoside
TN8740-01Diosgenin-3-O-β-D-xylosyl- (1→3) -β-glucoside
HY-N12002-01Diosgenin-3-O-rhamnosyl (1→2) [glucosyl (1→6) ]glucoside
MBS5824200Diosgenin-3-O-rhamnosyl(1-->2)[glucosyl(1-->6)]glucoside
TB0204-1000Diosgenin

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