Glycoside
GD038561
Name:
(2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxy-3-(beta-d-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamideFormula:
C21H41O12N5Smiles:
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]2O)[C@H]1OAglycone:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | -7.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 555.58 | Num_heavy_atoms: | 38 |
| TPSA: | 311.71 | 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 |
