Glycoside
GD004680
Name:
3-O-Beta-D-GlucopyranosylfagomineFormula:
C12H23O8NSmiles:
OC[C@@H]1O[C@H](O[C@@H]2CCN[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCC1NCCC(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 309.31 | Num_heavy_atoms: | 21 |
| TPSA: | 151.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD04056
Formula: C6H13O3N
Smiles:
OCC1NCCC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.17 | Num_heavy_atoms: | 10 |
| TPSA: | 72.72 | NumAromaticRings: | 0 |
