Glycoside
GD055272
Name:
NoneFormula:
C15H18O7N2Smiles:
O=C(Nc1ccc(C2=NCCO2)cc1)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Nc1ccc(C2=NCCO2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 338.32 | Num_heavy_atoms: | 24 |
| TPSA: | 148.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD28012
Formula: C9H10ON2
Smiles:
Nc1ccc(C2=NCCO2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 47.61 | NumAromaticRings: | 1 |
