Glycoside
GD040034
Name:
ethyl 3-o-[5-(acetylamino)-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl]-1-thio-beta-d-galactopyranosideFormula:
C19H33O13NSSmiles:
CCS[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@@H]([C@@H](O)[C@@H](O)CO)O2)[C@@H]1OAglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
CCSC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -4.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 515.53 | Num_heavy_atoms: | 34 |
| TPSA: | 235.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD00077
Formula: C11H19O9N
Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
