Glycoside
GD066091
Name:
NoneFormula:
C15H22O8N2Smiles:
COCCOc1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cn1Aglycone:
COCCOc1ccc(CN)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 358.35 | Num_heavy_atoms: | 25 |
| TPSA: | 158.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD31732
Formula: C9H14O2N2
Smiles:
COCCOc1ccc(CN)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 57.37 | NumAromaticRings: | 1 |
