Glycoside
GD017216
Name:
NoneFormula:
C15H24O8N7PSmiles:
NC(=O)CCC(N)COP(=O)(O)OC[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OCC(N)CCC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 461.37 | Num_heavy_atoms: | 31 |
| TPSA: | 244.18 | 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 |
AD12312
Formula: C6H15O5N2P
Smiles:
COP(=O)(O)OCC(N)CCC(N)=O| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 226.17 | Num_heavy_atoms: | 14 |
| TPSA: | 124.87 | NumAromaticRings: | 0 |
