Glycoside
GD029715
Name:
NoneFormula:
C11H16O9N3PSmiles:
Nc1ncc([C@@H]2O[C@H](COP(=O)(O)CC(=O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CC(=O)O.Nc1nccc(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.24 | Num_heavy_atoms: | 24 |
| TPSA: | 205.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD02255
Formula: C3H7O5P
Smiles:
COP(=O)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 154.06 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD19304
Formula: C4H5ON3
Smiles:
Nc1nccc(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
