GD120630

Name:

None

Formula:

C67H106O33

Smiles:

COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CCC89C(=O)OC(C)(CCCC(C)(O)CCO)C8C(=O)CC9(C)C7=CCC6C5(C)C)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C(O)C3O)C2O)C1O

Aglycone:

CC(O)(CCO)CCCC1(C)OC(=O)C23CC=C4C(=CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0428456

AD48485

Formula: C31H46O6

Smiles:

CC(O)(CCO)CCCC1(C)OC(=O)C23CC=C4C(=CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.81
AlogP:	4.65	Num_rotatable_bonds:	6
MolWt:	514.7	Num_heavy_atoms:	37
TPSA:	104.06	NumAromaticRings:	0