GD135630

Name:

None

Formula:

C63H104O34S

Smiles:

CC(C)C(C)C1OC1C(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(OC1OC(C)C(O)C(OC2OCC(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1O)C3O

Aglycone:

CC(C)C(C)C1OC1C(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(O)C3O

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0457613

AD54843

Formula: C28H46O8S

Smiles:

CC(C)C(C)C1OC1C(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(O)C3O

HBA:	8	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	3.51	Num_rotatable_bonds:	6
MolWt:	542.74	Num_heavy_atoms:	37
TPSA:	136.82	NumAromaticRings:	0