andirobicin B glucoside

(8S,9R,13R,16R,17R)-17-acetyl-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one

Also Known As: Andirobicin B glucoside|KST-1A2202|(8S,9R,13R,16R,17R)-17-acetyl-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one|22,23,24,25,26,27,29-Heptanor-1,2,3,4,5,10-dehydro-2-O-glucopyranosyl-3,16-dihydroxycucurbita-11,20-dione|(9|A,14xi,16|A)-1,16-dihydroxy-9,14-dimethyl-11,20-dioxo-4,9-cyclo-9,10-secopregna-1,3,5(10)-trien-2-yl |A-d-glucopyranoside|19-Norpregna-1,3,5(10)-triene-11,20-dione, 2-(beta-D-glucopyranosyloxy)-3,16-dihydroxy-4,9,14-trimethyl-, (9beta,16alpha)-|(14xi)-1,16alpha-Dihydroxy-9alpha,14-dimethyl-11,20-dioxo-8beta-4,9-cyclo-9,10-secopregna-1,3,5(10)-trien-2-yl beta-D-glucopyranoside|(8S,9R,13R,16R,17R)-17-acetyl-3,16-dihydroxy-4,9,13,14-tetramethyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta(a)phenanthren-11-one|1,16-Dihydroxy-9,14-dimethyl-11,20-dioxo-4,9-cyclo-9,10-secopregna-1,3,5(10)-trien-2-yl hexopyranoside

Molecular Formula	C29H40O10
Molecular Weight	548.26215 g/mol
LogP	1.5
Topological Polar Surface Area	174.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	548.26215
Monoisotopic Mass	548.26215
Heavy Atoms	39
Complexity	989.0

Chemical Identifiers

CAS Number	18357-38-5
SMILES	CC1=C2CC[C@@H]3[C@](C2=CC(=C1O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C(=O)C[C@]5(C3(C[C@H]([C@@H]5C(=O)C)O)C)C)C
InChIKey	FKNMUGKCXFULAT-XBFFBVMRSA-N