GD008091

Name:

TEICOPLANIN A2-5

Formula:

C91H99O33N9Cl2

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1c2ccc(c(Cl)c2)Oc2cc3cc(c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)CCCCCCCC(C)C)Oc2ccc(cc2Cl)C[C@@H]2NC(=O)[C@H](N)c4ccc(O)c(c4)Oc4cc(O)cc(c4)[C@H](NC2=O)C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H]1C(=O)N[C@H](C(=O)O)c1cc(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1-c1cc2ccc1O

Aglycone:

CC(C)CCCCCCCC(N)=O.NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3348961
• CHEMBL4297111

AD02660

Formula: C60H45O18N7Cl2

Smiles:

NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

HBA:	25	RingCount:	13
HBD:	16	FractionCSP3:	0.16
AlogP:	4.98	Num_rotatable_bonds:	1
MolWt:	1198.94	Num_heavy_atoms:	85
TPSA:	407.22	NumAromaticRings:	7

AD06510

Formula: C11H23ON

Smiles:

CC(C)CCCCCCCC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.91
AlogP:	2.86	Num_rotatable_bonds:	8
MolWt:	185.31	Num_heavy_atoms:	13
TPSA:	43.09	NumAromaticRings:	0