Glycoside
GD029937
Name:
NoneFormula:
C12H19O6N6PSmiles:
CC(N)P(=O)(O)O[C@@H]1[C@H](CO)O[C@H](n2cnc3c(N)ncnc32)[C@H]1OAglycone:
CC(N)P(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.29 | Num_heavy_atoms: | 25 |
| TPSA: | 191.86 | 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 |
AD11782
Formula: C2H8O3NP
Smiles:
CC(N)P(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.06 | Num_heavy_atoms: | 7 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
