GD009616

Name:

METHYL ESTER PANDAROSIDE E

Formula:

C40H58O14

Smiles:

C=C(C(=O)C[C@H](C)C1=C(O)C(=O)[C@@H]2C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O[C@@H]2O[C@H](C(=O)OC)[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2O)C[C@H]1CC3)C(C)C

Aglycone:

C=C(C(=O)CC(C)C1=C(O)C(=O)C2C3=C(CCC12C)C1(C)CCC(O)CC1CC3)C(C)C

Sugarmoiety:

COC(=O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL1214459
• CNP0166802

AD07527

Formula: C28H40O4

Smiles:

C=C(C(=O)CC(C)C1=C(O)C(=O)C2C3=C(CCC12C)C1(C)CCC(O)CC1CC3)C(C)C

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.71
AlogP:	5.86	Num_rotatable_bonds:	5
MolWt:	440.62	Num_heavy_atoms:	32
TPSA:	74.6	NumAromaticRings:	0