Glycoside
GD055409
Name:
NoneFormula:
C14H20O8N2Smiles:
COc1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(OC)n1Aglycone:
COc1ccc(CN)c(OC)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 158.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD28044
Formula: C8H12O2N2
Smiles:
COc1ccc(CN)c(OC)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.2 | Num_heavy_atoms: | 12 |
| TPSA: | 57.37 | NumAromaticRings: | 1 |
