GD024401

Name:

None

Formula:

C43H44O19N4

Smiles:

CC(=O)O[C@@H]1O[C@H](n2cc(COC[C@@H]3C(=O)OC4c5cc(C)cc(O)c5C5=C(C(=O)c6c(O[C@@H]7C[C@H](O)[C@H](O)[C@H](C)O7)cccc6C5=O)N43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

Cc1cc(O)c2c(c1)C1OC(=O)C(COCC3=C[N]N=N3)N1C1=C2C(=O)c2cccc(O)c2C1=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CC1OC(O)CC(O)C1O

Other Identifiers

• CHEMBL3594363

AD10491

Formula: C24H17O7N4

Smiles:

Cc1cc(O)c2c(c1)C1OC(=O)C(COCC3=C[N]N=N3)N1C1=C2C(=O)c2cccc(O)c2C1=O

HBA:	11	RingCount:	6
HBD:	2	FractionCSP3:	0.21
AlogP:	2.28	Num_rotatable_bonds:	4
MolWt:	473.42	Num_heavy_atoms:	35
TPSA:	152.19	NumAromaticRings:	2