Wilfoside C 1N

[17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3,4-dimethylpent-2-enoate

Also Known As: Wilfoside C 1N|Otophylloside B 4'''-o-?-D-cymaropyranoside|Otophylloside B 4'''-o-?-L-cymaropyranoside|Otophylloside B 4'''-o-?-D-oleandropyranoside|Otophylloside B 4'''-O-alpha-L-cymaropyranoside|Otophylloside B 4'''-O-beta-D-cymaropyranoside|Otophylloside B 4'''-O-beta-D-oleandropyranoside|[17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3,4-dimethylpent-2-enoate|3-{[2,6-Dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-8,14,17-trihydroxy-20-oxopregn-5-en-12-yl 3,4-dimethylpent-2-enoate

Molecular Formula	C56H90O19
Molecular Weight	1066.6077 g/mol
LogP	4.1
Topological Polar Surface Area	235.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	19
Rotatable Bonds	17
Exact Mass	1066.6077
Monoisotopic Mass	1066.6077
Heavy Atoms	75
Complexity	2070.0

Chemical Identifiers

CAS Number	96829-53-7
SMILES	CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=C(C)C(C)C)C)C)C)C)OC)O
InChIKey	YUDOHRCAEPBFBO-UHFFFAOYSA-N