GD131577

Name:

None

Formula:

C41H66O19

Smiles:

C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO.COC(=O)CC(=O)O

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0453793

AD03073

Formula: C20H34O2

Smiles:

C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.6
AlogP:	5.1	Num_rotatable_bonds:	11
MolWt:	306.49	Num_heavy_atoms:	22
TPSA:	40.46	NumAromaticRings:	0

AD04733

Formula: C4H6O4

Smiles:

COC(=O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.5
AlogP:	-0.37	Num_rotatable_bonds:	2
MolWt:	118.09	Num_heavy_atoms:	8
TPSA:	63.6	NumAromaticRings:	0