Glycoside
GD156420
Name:
Antibiotic Neoc-1027 Chromophore IFormula:
C44H46O13N3ClSmiles:
COc1cc2c(c(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34OC3OC(C)(C)C(N(C)C)C(O)C3O)c1)N=C(O)C(C)O2Aglycone:
COc1cc2c(c(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34O)c1)N=C(O)C(C)O2Sugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 11 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 848.3 | Num_heavy_atoms: | 60 |
| TPSA: | 221.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD61940
Formula: C35H29O10N2Cl
Smiles:
COc1cc2c(c(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34O)c1)N=C(O)C(C)O2| HBA: | 12 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 661.06 | Num_heavy_atoms: | 47 |
| TPSA: | 179.36 | NumAromaticRings: | 3 |
