GD123268

Name:

None

Formula:

C56H94O27S

Smiles:

CC(C)CC(O)CC(C)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(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=CCC12C

Aglycone:

CC(C)CC(O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

Sugarmoiety:

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

Other Identifiers

• CNP0445778

AD45373

Formula: C27H46O6S

Smiles:

CC(C)CC(O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

HBA:	6	RingCount:	4
HBD:	3	FractionCSP3:	0.93
AlogP:	5.16	Num_rotatable_bonds:	7
MolWt:	498.73	Num_heavy_atoms:	34
TPSA:	104.06	NumAromaticRings:	0