Glycoside
GD012719
Name:
NoneFormula:
C16H25O7N6PSmiles:
CCOP(=O)(CC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CC(=O)NC)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.39 | Num_heavy_atoms: | 30 |
| TPSA: | 183.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD09167
Formula: C7H16O4NP
Smiles:
CCOP(=O)(CC(=O)NC)OCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 209.18 | Num_heavy_atoms: | 13 |
| TPSA: | 64.63 | NumAromaticRings: | 0 |
