GD006104

Name:

None

Formula:

C91H80O28N10Cl2

Smiles:

CN(Cc1c[nH]c2ccccc12)[C@@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3OC(C(=O)O)C(O)[C@H](O)C3NCc3c[nH]c5ccccc35)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(Cc1c[nH]c2ccccc12)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.NCc1c[nH]c2ccccc12

Sugarmoiety:

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

Other Identifiers

• CHEMBL278706

AD05078

Formula: C70H54O18N8Cl2

Smiles:

CN(Cc1c[nH]c2ccccc12)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:	26	RingCount:	15
HBD:	15	FractionCSP3:	0.16
AlogP:	7.64	Num_rotatable_bonds:	4
MolWt:	1342.12	Num_heavy_atoms:	96
TPSA:	400.23	NumAromaticRings:	9

AD05079

Formula: C9H10N2

Smiles:

NCc1c[nH]c2ccccc12

HBA:	2	RingCount:	2
HBD:	3	FractionCSP3:	0.11
AlogP:	1.63	Num_rotatable_bonds:	1
MolWt:	146.19	Num_heavy_atoms:	11
TPSA:	41.81	NumAromaticRings:	2