GD013836

Name:

None

Formula:

C101H86O32N8Cl2

Smiles:

CN(Cc1ccc(C(=O)Oc2ccccc2)cc1)[C@@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3OC(C(=O)O)C(O)[C@H](O)C3NCc3ccc(C(=O)Oc5ccccc5)cc3)Oc3ccc(cc3Cl)[C@H](O)C3NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)cc1[C@H](C(=O)O)NC3=O

Aglycone:

CN(Cc1ccc(C(=O)Oc2ccccc2)cc1)C1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O.NCc1ccc(C(=O)Oc2ccccc2)cc1

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL415433

AD07978

Formula: C14H13O2N

Smiles:

NCc1ccc(C(=O)Oc2ccccc2)cc1

HBA:	3	RingCount:	2
HBD:	2	FractionCSP3:	0.07
AlogP:	2.36	Num_rotatable_bonds:	3
MolWt:	227.26	Num_heavy_atoms:	17
TPSA:	52.32	NumAromaticRings:	2

AD10264

Formula: C75H57O20N7Cl2

Smiles:

CN(Cc1ccc(C(=O)Oc2ccccc2)cc1)C1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

HBA:	27	RingCount:	15
HBD:	14	FractionCSP3:	0.15
AlogP:	8.38	Num_rotatable_bonds:	6
MolWt:	1423.19	Num_heavy_atoms:	102
TPSA:	410.74	NumAromaticRings:	9