GD126727

Name:

17-(5-{12-[(3,4-dihydroxy-5-{1,6,13,16-tetrahydroxy-16-[4-hydroxy-5-methyl-5-(1,6,8-trihydroxy-3,4-dimethylidenenonyl)oxolan-2-yl]-3,9,11-trimethyl-7-oxohexadec-14-en-1-yl}oxolan-2-yl)methyl]-4,9-dihydroxy-10-methylidenetrideca-7,12-dien-2-yl}-2,5-dihydrofuran-2-yl)-9,11,15-trihydroxy-5,10,13,16-tetramethyl-3,7-dimethylideneheptadec-12-enoic acid

Formula:

C81H134O21

Smiles:

C=C(CC(=O)O)CC(C)CC(=C)CC(O)C(C)C(O)C=C(C)CC(O)C(C)CC1C=CC(C(C)CC(O)CCC=CC(O)C(=C)CC(=C)CC2OC(C(O)CC(C)CCC(O)C(=O)CC(C)CC(C)CC(O)C=CC(O)C3CC(O)C(C)(C(O)CC(=C)C(=C)CC(O)CC(C)O)O3)C(O)C2O)O1

Aglycone:

C=C(C)CC(=C)C(O)C=CCCC(O)CC(C)C1C=CC(CC(C)C(O)CC(C)=CC(O)C(C)C(O)CC(=C)CC(C)CC(=C)CC(=O)O)O1.C=C(CC(O)CC(C)O)C(=C)CC(O)C1(C)OC(C(O)C=CC(O)CC(C)CC(C)CC(=O)C(O)CCC(C)CCO)CC1O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CNP0101785

AD51291

Formula: C42H68O8

Smiles:

C=C(C)CC(=C)C(O)C=CCCC(O)CC(C)C1C=CC(CC(C)C(O)CC(C)=CC(O)C(C)C(O)CC(=C)CC(C)CC(=C)CC(=O)O)O1

HBA:	8	RingCount:	1
HBD:	6	FractionCSP3:	0.64
AlogP:	7.39	Num_rotatable_bonds:	26
MolWt:	701.0	Num_heavy_atoms:	50
TPSA:	147.68	NumAromaticRings:	0

AD51292

Formula: C35H62O10

Smiles:

C=C(CC(O)CC(C)O)C(=C)CC(O)C1(C)OC(C(O)C=CC(O)CC(C)CC(C)CC(=O)C(O)CCC(C)CCO)CC1O

HBA:	10	RingCount:	1
HBD:	8	FractionCSP3:	0.8
AlogP:	2.73	Num_rotatable_bonds:	23
MolWt:	642.87	Num_heavy_atoms:	45
TPSA:	188.14	NumAromaticRings:	0