Glycoside
GD014638
Name:
NoneFormula:
C14H24O13N7P3Smiles:
CC(=O)NCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCNC(C)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 591.3 | Num_heavy_atoms: | 37 |
| TPSA: | 300.03 | 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 |
AD10742
Formula: C5H15O10N2P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCNC(C)=O| HBA: | 12 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 356.1 | Num_heavy_atoms: | 20 |
| TPSA: | 180.72 | NumAromaticRings: | 0 |
