GD009326

Name:

METHYL ESTER PANDAROSIDE C

Formula:

C40H62O15

Smiles:

COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@H]5C(=O)C(O)=C([C@H](C)CC(=O)CC(C)C)[C@@]5(C)CC[C@H]43)C2)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL1214517
• CNP0330963

AD02879

Formula: C27H42O4

Smiles:

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

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.85
AlogP:	5.63	Num_rotatable_bonds:	5
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	74.6	NumAromaticRings:	0