Glycoside
GD038274
Name:
(1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranosideFormula:
C17H34O10N4Smiles:
N[C@H]1C[C@@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2N)[C@@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@H](N)[C@@H]1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)COC(O)C1O.NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -6.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.48 | Num_heavy_atoms: | 31 |
| TPSA: | 262.38 | 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 |
