Glycoside
GD009700
Name:
NoneFormula:
C16H24O8N5PSmiles:
CCOP(=O)(CC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CC(=O)OC)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.37 | Num_heavy_atoms: | 30 |
| TPSA: | 181.14 | 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 |
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 |
