Glycoside
GD067567
Name:
NoneFormula:
C15H16O8N2Smiles:
COC(=O)c1cc(C#N)cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1Aglycone:
COC(=O)c1cc(N)cc(C#N)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 352.3 | Num_heavy_atoms: | 25 |
| TPSA: | 177.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD32198
Formula: C9H8O2N2
Smiles:
COC(=O)c1cc(N)cc(C#N)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.18 | Num_heavy_atoms: | 13 |
| TPSA: | 76.11 | NumAromaticRings: | 1 |
