Glycoside
GD026918
Name:
NoneFormula:
C16H23O9N4PSmiles:
CCOP(=O)(CC(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CC(=O)OC)OCC.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.35 | Num_heavy_atoms: | 30 |
| TPSA: | 175.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD07583
Formula: C7H15O5P
Smiles:
CCOP(=O)(CC(=O)OC)OCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 210.17 | Num_heavy_atoms: | 13 |
| TPSA: | 61.83 | NumAromaticRings: | 0 |
