Glycoside
GD003886
Name:
NeomycinFormula:
C23H46O13N6Smiles:
NCC1OC(OC2C(N)CC(N)[C@H](O)[C@H]2OC2O[C@H](CO)[C@H](O[C@@H]3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 1.0 |
| AlogP: | -8.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.65 | Num_heavy_atoms: | 42 |
| TPSA: | 353.11 | 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 |
