Glycoside
GD039114
Name:
(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranosideFormula:
C18H33O13NSmiles:
OC[C@@H]1CNC[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
OCC1CNCC(O)C1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -6.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 471.46 | Num_heavy_atoms: | 32 |
| TPSA: | 231.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD23985
Formula: C6H13O3N
Smiles:
OCC1CNCC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.17 | Num_heavy_atoms: | 10 |
| TPSA: | 72.72 | NumAromaticRings: | 0 |
