Glycoside
GD146608
Name:
Teicoplanin A3-1Formula:
C74H68O28N8Cl2Smiles:
CC(O)=NC1C(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)CC3N=C(O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(N=C3O)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c2-c2cc3ccc2O)OC(CO)C(O)C1OAglycone:
NC1C(O)=NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 15 |
| HBD: | 22 | FractionCSP3: | 0.31 |
| AlogP: | 6.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 1564.27 | Num_heavy_atoms: | 110 |
| TPSA: | 598.82 | NumAromaticRings: | 7 |
Unique Aglycone
AD46331
Formula: C60H45O18N7Cl2
Smiles:
NC1C(O)=NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O| HBA: | 25 | RingCount: | 13 |
| HBD: | 16 | FractionCSP3: | 0.16 |
| AlogP: | 10.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 1198.94 | Num_heavy_atoms: | 85 |
| TPSA: | 428.16 | NumAromaticRings: | 7 |
