GD004002

Name:

None

Formula:

C37H47O22N

Smiles:

COc1cc(C=CC(=O)N2c3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)c(O)cc3C[C@H]2C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3741158

AD02472

Formula: C19H17O7N

Smiles:

COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O

HBA:	8	RingCount:	3
HBD:	4	FractionCSP3:	0.16
AlogP:	1.87	Num_rotatable_bonds:	4
MolWt:	371.35	Num_heavy_atoms:	27
TPSA:	127.53	NumAromaticRings:	2