Glycoside
GD155650
Name:
Teicoplanin A2-1Formula:
C90H95O33N9Cl2Smiles:
CCCCCC=CCCC(O)=NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C2N=C(O)C(N=C(O)C4N=C(O)C4N=C(O)C(Cc5ccc(c(Cl)c5)O3)N=C(O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)O)N=C2O)OC(CO)C(O)C1OAglycone:
CCCCCC=CCCC(=N)O.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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 42 | RingCount: | 16 |
| HBD: | 25 | FractionCSP3: | 0.4 |
| AlogP: | 7.66 | Num_rotatable_bonds: | 19 |
| MolWt: | 1877.66 | Num_heavy_atoms: | 132 |
| TPSA: | 690.33 | 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 |
AD49662
Formula: C10H19ON
Smiles:
CCCCCC=CCCC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 169.27 | Num_heavy_atoms: | 12 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
