Glycoside
GD016798
Name:
NoneFormula:
C19H23O9N10PSmiles:
CP(=O)(O[C@@H]1C(O)O[C@H](n2cnc3c(N)ncnc32)[C@H]1O)O[C@@H]1C(O)O[C@H](n2cnc3c(N)ncnc32)[C@H]1OAglycone:
CP(=O)(O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 566.43 | Num_heavy_atoms: | 39 |
| TPSA: | 274.15 | NumAromaticRings: | 4 |
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 |
AD00991
Formula: CH5O3P
Smiles:
CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
