Glycoside
GD073226
Name:
NoneFormula:
C17H23O9NSmiles:
COc1cc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)ccc1OC1COC1Aglycone:
COc1cc(CN)ccc1OC1COC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 385.37 | Num_heavy_atoms: | 27 |
| TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD33992
Formula: C11H15O3N
Smiles:
COc1cc(CN)ccc1OC1COC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 209.24 | Num_heavy_atoms: | 15 |
| TPSA: | 53.71 | NumAromaticRings: | 1 |
