Glycoside
GD153187
Name:
Nebramycin IvFormula:
C19H38O11N6Smiles:
N=C(O)OCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1OAglycone:
COC(=N)O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.95 |
| AlogP: | -6.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.54 | Num_heavy_atoms: | 36 |
| TPSA: | 321.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD49182
Formula: C2H5O2N
Smiles:
COC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 53.31 | NumAromaticRings: | 0 |
