Aurantinin B

(7E,9E,11E)-12-[(1Z,6Z)-16-(3,5-dihydroxy-6-methyl-4-oxooxan-2-yl)oxy-4-hydroxy-3,7,15,19-tetramethyl-8,10-dioxo-9-oxatetracyclo[9.9.0.02,6.012,17]icosa-1,6,18-trien-20-yl]-3-hydroxy-2,5,7-trimethyldodeca-7,9,11-trienoic acid

Also Known As: Aurantinin B|(7E,9E,11E)-12-[(1Z,6Z)-16-(3,5-dihydroxy-6-methyl-4-oxooxan-2-yl)oxy-4-hydroxy-3,7,15,19-tetramethyl-8,10-dioxo-9-oxatetracyclo[9.9.0.02,6.012,17]icosa-1,6,18-trien-20-yl]-3-hydroxy-2,5,7-trimethyldodeca-7,9,11-trienoic acid|7,9,11-Dodecatrienoic acid, 12-(1-((6-deoxy-beta-D-ribo-hexopyranos-3-ulos-1-yl)oxy)-2,3,4,4a,4b,5,7,9,10,11,12,14a-dodecahydro-10-hydroxy-2,8,11,13-tetramethyl-5,7-dioxo-1H-benzo(6,7)cyclohepta(1,2-c)cyclopent(e)oxocin-12-yl)-3-hydroxy-2,5,7-trimethyl-

Molecular Formula	C44H60O12
Molecular Weight	780.40845 g/mol
LogP	4.9157
Topological Polar Surface Area	197.12 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	780.40845
Monoisotopic Mass	780.40845
Heavy Atoms	56
Complexity	1731.4235

Chemical Identifiers

CAS Number	97707-52-3
SMILES	CC1CCC2C(C1OC3C(C(=O)C(C(O3)C)O)O)C=C(C(/C/4=C/5\C(C(C\C5=C(\C(=O)OC(=O)C24)/C)O)C)/C=C/C=C/C=C(\C)/CC(C)CC(C(C)C(=O)O)O)C