GD017494

Name:

None

Formula:

C76H79O25N9Cl2

Smiles:

CC(C)C[C@H](N)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]2C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(NCc3cc4ccccc4o3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:

CC(C)CC(N)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O.CC1OC(O)CC(C)(NCc2cc3ccccc3o2)C1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2058650

AD02788

Formula: C54H50O17N8Cl2

Smiles:

CC(C)CC(N)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

HBA:	25	RingCount:	10
HBD:	17	FractionCSP3:	0.27
AlogP:	2.13	Num_rotatable_bonds:	7
MolWt:	1129.92	Num_heavy_atoms:	79
TPSA:	420.85	NumAromaticRings:	5

AD12476

Formula: C16H21O4N

Smiles:

CC1OC(O)CC(C)(NCc2cc3ccccc3o2)C1O

HBA:	5	RingCount:	3
HBD:	3	FractionCSP3:	0.5
AlogP:	1.77	Num_rotatable_bonds:	3
MolWt:	291.35	Num_heavy_atoms:	21
TPSA:	74.86	NumAromaticRings:	2