Dioscin

2-[4-hydroxy-2-(hydroxymethyl)-6-(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-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Also Known As: Dioscin|Tuberoside d(solanum)|Dioscin [M+H]+|TUBEROSIDE D (SOLANUM)|spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1-|2-[4-Hydroxy-2-(hydroxymethyl)-6-(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-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|Collettiside III; CCRIS 4123;Saponin; CCRIS4123; CCRIS-4123|spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranoside|(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|2-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol|DIOSCIN;beta-d-glucopyranoside,(3-beta,25r)-spirost-5-en-3-ylo-6-deoxy-alpha-l-mannop;collettisideiii;dioscine;yranosyl-(1-2)-o-(6-deoxy-alpha-l-mannopyranosyl)-(1-4))-;DIOSCIN(P);|?-D-Glucopyranoside, (3|?,25R)-spirost-5-en-3-yl O-6-deoxy-| cent-L-mannopyranosyl-(1? (2)2)-O-[6-deoxy-| cent-L-mannopyranosyl-(1? (2)4)]-;(25R)-3|?-[2-O,4-O-Bis(| cent-L-rhamnopyranosyl)-|?-D-glucopyranosyloxy]spirosta-5-ene

Molecular Formula	C45H72O16
Molecular Weight	868.48206 g/mol
LogP	1.3
Topological Polar Surface Area	236.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	16
Rotatable Bonds	7
Exact Mass	868.48206
Monoisotopic Mass	868.48206
Heavy Atoms	61
Complexity	1600.0

Chemical Identifiers

CAS Number	6093-80-7
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
InChIKey	VNONINPVFQTJOC-UHFFFAOYSA-N