Glycoside
GD038439
Name:
(2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamideFormula:
C21H44O9N6Smiles:
NCCCNCCO[C@H]1[C@@H](NC(=O)[C@@H](O)CCN)C[C@@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2N)[C@H]1OAglycone:
NCCCNCCOC1C(NC(=O)C(O)CCN)CC(N)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -6.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 524.62 | Num_heavy_atoms: | 36 |
| TPSA: | 274.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD24023
Formula: C15H33O5N5
Smiles:
NCCCNCCOC1C(NC(=O)C(O)CCN)CC(N)C(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -4.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 363.46 | Num_heavy_atoms: | 25 |
| TPSA: | 189.11 | NumAromaticRings: | 0 |
