GD024936

Name:

METHYL ESTER PANDAROSIDE J

Formula:

C41H62O15

Smiles:

C=C(C(=O)C[C@H](C)C1=C(O)C(=O)[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)OC)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12C)C(C)C

Aglycone:

C=C(C(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL1214464
• CNP0079597

AD03581

Formula: C28H42O4

Smiles:

C=C(C(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.79
AlogP:	5.8	Num_rotatable_bonds:	5
MolWt:	442.64	Num_heavy_atoms:	32
TPSA:	74.6	NumAromaticRings:	0