Glycoside
GD022107
Name:
NoneFormula:
C24H40O18NFSmiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](CO)O[C@H](F)[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)C[C@H](O)COAglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)CC(O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(F)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | -6.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 649.57 | Num_heavy_atoms: | 44 |
| TPSA: | 314.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD15025
Formula: C12H21O9N
Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)CC(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
