Glycoside
GD015449
Name:
NEOKACINFormula:
C27H53O15N7Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H]1OAglycone:
NCCC(O)C(=O)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: | 22 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.96 |
| AlogP: | -10.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 715.76 | Num_heavy_atoms: | 49 |
| TPSA: | 402.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD02366
Formula: C10H21O5N3
Smiles:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.29 | Num_heavy_atoms: | 18 |
| TPSA: | 162.06 | NumAromaticRings: | 0 |
