Glycoside
GD052802
Name:
NoneFormula:
C15H16O6N4Smiles:
Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COC(=O)c1ccccc1.Nc1cn[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.32 | Num_heavy_atoms: | 25 |
| TPSA: | 149.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD03874
Formula: C3H4ON4
Smiles:
Nc1cn[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 84.66 | NumAromaticRings: | 1 |
