Glycoside
GD000448
Name:
NoneFormula:
C12H18O6N5PSmiles:
C[C@]1(O)[C@H](O)[C@H](CCP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
CCP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.28 | Num_heavy_atoms: | 24 |
| TPSA: | 176.84 | 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 |
AD00498
Formula: C2H7O3P
Smiles:
CCP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.05 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
