3'-O-Methyl-evomonoside

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Also Known As: Neriifolin|17beta-Neriifolin|3'-O-Methyl-evomonoside|Digitoxigenin + thevetose|KST-1A4962|Digitoxigenin + thevetose [German]|EINECS 207-372-5|NCI60_000562|Card-20(22)-enolide, (3.beta.,5.beta.)-|4-18-00-01486 (Beilstein Handbook Reference)|3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|(3|A,5|A)-3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|(3-beta,5-beta)-3-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|(5beta)-3beta-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-

Molecular Formula	C30H46O8
Molecular Weight	534.3193 g/mol
LogP	2.1
Topological Polar Surface Area	115.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	534.3193
Monoisotopic Mass	534.3193
Heavy Atoms	38
Complexity	968.0

Chemical Identifiers

CAS Number	4745-68-0
SMILES	CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
InChIKey	VPUNMTHWNSJUOG-VZCPFXLZSA-N