Glycoside
GD039121
Name:
(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosideFormula:
C24H43O18NSmiles:
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]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
OCC1CNCC(O)C1OSugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -8.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 633.6 | Num_heavy_atoms: | 43 |
| TPSA: | 310.17 | 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 |
