Glycoside
GD055331
Name:
NoneFormula:
C14H21O7N3Smiles:
Cn1cc2c(n1)[C@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)OCC2Aglycone:
Cn1cc2c(n1)C(CN)OCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 343.34 | Num_heavy_atoms: | 24 |
| TPSA: | 154.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD28025
Formula: C8H13ON3
Smiles:
Cn1cc2c(n1)C(CN)OCC2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 53.07 | NumAromaticRings: | 1 |
