Glycoside
GD086652
Name:
NoneFormula:
C21H30O9NSmiles:
COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)OCc1ccccc1Aglycone:
COC(=O)C1CC([NH3+])CC1C(=O)OCc1ccccc1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.47 | Num_heavy_atoms: | 31 |
| TPSA: | 159.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD38337
Formula: C15H20O4N
Smiles:
COC(=O)C1CC([NH3+])CC1C(=O)OCc1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.33 | Num_heavy_atoms: | 20 |
| TPSA: | 80.24 | NumAromaticRings: | 1 |
