Glycoside
GD001332
Name:
NoneFormula:
C13H18O7N5PSmiles:
Nc1ncnc2c1ncn2C1O[C@H](COP2(=O)OCCCO2)[C@H](O)[C@H]1OAglycone:
COP1(=O)OCCCO1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.29 | Num_heavy_atoms: | 26 |
| TPSA: | 164.07 | 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 |
AD01361
Formula: C4H9O4P
Smiles:
COP1(=O)OCCCO1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.09 | Num_heavy_atoms: | 9 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
