Glycoside
GD038401
Name:
4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranoseFormula:
C19H35O13NSmiles:
C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1N[C@@H]1CC(CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
NC1CC(CO)C(O)C(O)C1OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -6.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.48 | Num_heavy_atoms: | 33 |
| TPSA: | 242.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD24010
Formula: C7H15O4N
Smiles:
NC1CC(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.2 | Num_heavy_atoms: | 12 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
