GD133129

Name:

None

Formula:

C55H90O27S

Smiles:

CC(C)=CCC(O)C(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(OC3COC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0455265

AD12321

Formula: C27H44O7S

Smiles:

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

HBA:	7	RingCount:	4
HBD:	4	FractionCSP3:	0.85
AlogP:	4.19	Num_rotatable_bonds:	6
MolWt:	512.71	Num_heavy_atoms:	35
TPSA:	124.29	NumAromaticRings:	0