orb1703212

7-[3-hydroxy-5-[3-methoxy-4-methyl-8-[2-(2,4,5-trihydroxy-5-methyl-6-penta-1,3-dienyloxan-2-yl)butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid

Also Known As: L 681217|L-681217|L-681,217|(2E,4E,6E)-7-[3-HYDROXY-5-[(4E,6E)-3-METHOXY-4-METHYL-8-[2-[2,4,5-TRIH YDROXY-5-METHYL-6-[(1E,3E)-PENTA-1,3-DIENYL]OXAN-2-YL]BUTANOYLAMINO]OC TA-4,6-DIEN-2-YL]OXOLAN-2-YL]HEPTA-2,4,6-TRIENOIC ACID|(2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid|7-[3-Hydroxy-5-[3-methoxy-4-methyl-8-[2-(2,4,5-trihydroxy-5-methyl-6-penta-1,3-dienyloxan-2-yl)butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid

Molecular Formula	C36H53NO10
Molecular Weight	659.36694 g/mol
LogP	3.6
Topological Polar Surface Area	175.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	16
Exact Mass	659.36694
Monoisotopic Mass	659.36694
Heavy Atoms	47
Complexity	1240.0

Chemical Identifiers

CAS Number	93522-10-2
SMILES	CCC(C(=O)NCC=CC=C(C)C(C(C)C1CC(C(O1)C=CC=CC=CC(=O)O)O)OC)C2(CC(C(C(O2)C=CC=CC)(C)O)O)O
InChIKey	OSKAZZUZQORABG-UHFFFAOYSA-N