Glycoside
GD055389
Name:
NoneFormula:
C14H18O8N2Smiles:
COC(=O)c1ccnc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1Aglycone:
COC(=O)c1ccnc(CN)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.3 | Num_heavy_atoms: | 24 |
| TPSA: | 166.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD28030
Formula: C8H10O2N2
Smiles:
COC(=O)c1ccnc(CN)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
