Glycoside
GD145607
Name:
Teicoplanin A2-1Formula:
C90H95O33N9Cl2Smiles:
CCCCCC=CCCC(=O)OC1C(Nc2c3cc4cc2Oc2ccc(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(=O)O.Nc1c2cc3cc1Oc1ccc(cc1Cl)C(O)C1N=C(O)C(N=C(O)C3N=C(O)C3N=C(O)C(Cc4ccc(c(Cl)c4)O2)N=C(O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc3c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)N=C1OSugarmoiety:
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: | 7.28 | Num_rotatable_bonds: | 19 |
| MolWt: | 1877.66 | Num_heavy_atoms: | 132 |
| TPSA: | 686.84 | NumAromaticRings: | 7 |
Unique Aglycone
AD06936
Formula: C10H18O2
Smiles:
CCCCCC=CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD58429
Formula: C60H46O17N8Cl2
Smiles:
Nc1c2cc3cc1Oc1ccc(cc1Cl)C(O)C1N=C(O)C(N=C(O)C3N=C(O)C3N=C(O)C(Cc4ccc(c(Cl)c4)O2)N=C(O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc3c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)N=C1O| HBA: | 25 | RingCount: | 13 |
| HBD: | 17 | FractionCSP3: | 0.16 |
| AlogP: | 9.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 1197.95 | Num_heavy_atoms: | 85 |
| TPSA: | 433.95 | NumAromaticRings: | 7 |
