Glycoside
GD036227
Name:
NoneFormula:
C12H19O6N6PSmiles:
NCC(C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
CC(CN)P(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.29 | Num_heavy_atoms: | 25 |
| TPSA: | 202.86 | 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 |
AD22871
Formula: C3H10O3NP
Smiles:
CC(CN)P(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.09 | Num_heavy_atoms: | 8 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
