Glycoside
GD040005
Name:
(1s,2s,3r,4s,6r)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-d-glucopyranosideFormula:
C20H39O10N5Smiles:
CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CN)O[C@H]1O[C@@H]1[C@@H](N)C[C@@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](N)[C@@H]2O)[C@H]1OAglycone:
CC(=O)NC1CC(O)C(CN)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | -6.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 509.56 | Num_heavy_atoms: | 35 |
| TPSA: | 271.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD24633
Formula: C14H28O6N4
Smiles:
CC(=O)NC1CC(O)C(CN)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -3.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.4 | Num_heavy_atoms: | 24 |
| TPSA: | 186.31 | NumAromaticRings: | 0 |
