GD022978

Name:

None

Formula:

C46H67O27N

Smiles:

O=C(COCc1ccccc1)N[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]1OCc1ccccc1

Aglycone:

NC(=O)COCc1ccccc1.OCc1ccccc1

Sugarmoiety:

OCC(O)C1OC(OC2C(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL395916

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1

AD11597

Formula: C9H11O2N

Smiles:

NC(=O)COCc1ccccc1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.22
AlogP:	0.69	Num_rotatable_bonds:	4
MolWt:	165.19	Num_heavy_atoms:	12
TPSA:	52.32	NumAromaticRings:	1