GD132080

Name:

None

Formula:

C67H106O28

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:

C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:

OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0454328

AD04442

Formula: C40H62O6

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.8
AlogP:	8.42	Num_rotatable_bonds:	7
MolWt:	638.93	Num_heavy_atoms:	46
TPSA:	104.06	NumAromaticRings:	0