PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Dioscin
PCNDIDD0152
Pubchem CID : 119245
Molecular formula: C45H72O16

Molecular weight : 869.000

Canonical SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

Synonymes : Dioscin|19057-60-4|Collettiside III|Dioscine|CCRIS 4123|CHEBI:74023|UNII-3B95U4OLWV|3B95U4OLWV|PARIS III|(+)-DIOSCIN|(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|3-O-(Rhaalpha1-4(Rhaalpha1-2)Glcbeta)-(25R)-spirost-5-en-3beta-ol|Diosgenin bis-alpha-L-rhamnopyranosyl)-(1-2 and 1-4)-beta-D-glucopyranoside|Collettinside III|3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]-diosgenin|3-O-[alpha-L-Rhap-(1->4)-[alpha-L-Rhap-(1->2)]-beta-D-Glcp]-diosgenin|(25R)-spirost-5-en-3beta-yl alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside|beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-|Collettiside III;CCRIS 4123|DTXSID50903916|3-O-(alpha-L-Rha-(1->4)-(alpha-L-Rha-(1->2))-beta-D-Glc)-diosgenin|3-O-(alpha-L-Rha-(1->4)-(alpha-L-Rha-(1->2))-beta-D-Glc)diosgenin|3-O-(alpha-L-Rhap-(1->4)-(alpha-L-Rhap-(1->2))-beta-D-Glcp)-diosgenin|3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]diosgenin|(25R)-spirost-5-en-3beta-yl alpha-L-rhamnopyranosyl-(1->2)-(alpha-L-mannopyranosyl-(1->4))-beta-D-glucopyranoside|DIOSCIN [MI]|DIOSCIN [WHO-DD]|D0F2AD|Dioscin (Collettiside III)|GTPL840|SCHEMBL526528|CHEMBL507001|Dioscin, >=95% (HPLC)|DTXCID101331877|GLXC-13125|HY-N0124|BDBM50088500|MFCD02094174|s2379|AKOS022168201|CCG-270544|C45-H72-O16|C08897|A880409|Q-100228|Q63395447|diosgenin bis-alpha-L-rhamnopyranosyl-(1?2 and 1?4)-beta-D-glucopyranoside|(25r)-3beta-[2-O,4-O-bis(alpha-l-rhamnopyranosyl)-beta-d-glucopyranosyloxy]spirosta-5-ene|(3.BETA.,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE|(3beta,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4))-beta-D-GLUCOPYRANOSIDE|.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6- DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L- MANNOPYRANOSYL-(1->4))-|.beta.-D-Glucopyranoside, (3.beta.,25R)-spirost-5-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-O-[6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.4)]-|[(25R)-Spirost-5-en-3beta-yl]2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|3-O-beta-D-alpha-L-Rhamnopyranosyl(1->4)-[alpha-L-rhamnopyranosyl(1->2)]-beta-D-glucopyranoside-diosgenin|beta-D-GLUCOPYRANOSIDE, (3beta,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4))-|DIOSGENIN 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE|DIOSGENIN 3-O-alpha-L-RHAMNOPYRANOSYL-(1->2)-(alpha-L-RHAMNOPYRANOSYL-(1->4))-beta-D-GLUCOPYRANOSIDE

Structure
3D structure 2D structure
119245
Predicted properties (NCBI Pubchem)

Physicochemical Properties