GD130409

Name:

None

Formula:

C63H104O31S

Smiles:

C=C(CCC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C)C(C)C

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0452688

AD02324

Formula: C28H46O6S

Smiles:

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

HBA:	6	RingCount:	4
HBD:	3	FractionCSP3:	0.86
AlogP:	5.47	Num_rotatable_bonds:	7
MolWt:	510.74	Num_heavy_atoms:	35
TPSA:	104.06	NumAromaticRings:	0