Glycoside
GD135385
Name:
1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,3,6-tetrahydropyridazine-3,6-dioneFormula:
C10H14O7N2Smiles:
O=c1ccc(O)nn1C1OC(CO)C(O)C(O)C1OAglycone:
O=c1ccc(O)n[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.23 | Num_heavy_atoms: | 19 |
| TPSA: | 145.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD54743
Formula: C4H4O2N2
Smiles:
O=c1ccc(O)n[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
