GD148072

Name:

None

Formula:

C62H104O20S

Smiles:

C=CCC(=C)CC1CC(O)C(CC=CCC(=C)C=CCCC=CCCCCCCCC(C)CCC2OC2CCCC(CC(O)CC(=O)CC(O)CCC(O)C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)OC2OC(CO)C(O)C(O)C2O)O1

Aglycone:

C=CCC(=C)CC1CC(O)C(CC=CCC(=C)C=CCCC=CCCCCCCCC(C)CCC2OC2CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)O1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0469268

AD58304

Formula: C56H94O15S

Smiles:

C=CCC(=C)CC1CC(O)C(CC=CCC(=C)C=CCCC=CCCCCCCCC(C)CCC2OC2CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)O1

HBA:	15	RingCount:	3
HBD:	8	FractionCSP3:	0.77
AlogP:	8.34	Num_rotatable_bonds:	41
MolWt:	1039.42	Num_heavy_atoms:	72
TPSA:	253.27	NumAromaticRings:	0