GD117685

Name:

None

Formula:

C57H94O28S

Smiles:

COC1OC(OC2C(C)OC(OC3C(O)C(C)OC(OC4CC5C(=CCC6(C)C5CCC6C(C)(O)CC(=O)CC(C)C)C5(C)CCC(OS(=O)(=O)O)CC45)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Sugarmoiety:

COC1OC(OC2C(C)OC(OC3C(O)C(C)OC(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0440420

AD00012

Formula: C27H44O7S

Smiles:

CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

HBA:	7	RingCount:	4
HBD:	3	FractionCSP3:	0.89
AlogP:	4.48	Num_rotatable_bonds:	7
MolWt:	512.71	Num_heavy_atoms:	35
TPSA:	121.13	NumAromaticRings:	0