Glycoside
GD005204
Name:
NoneFormula:
C13H19O6N6PSmiles:
Nc1ncnc2c1ncn2C1O[C@H](COP2(=O)NCCCO2)[C@H](O)[C@H]1OAglycone:
COP1(=O)NCCCO1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.31 | Num_heavy_atoms: | 26 |
| TPSA: | 166.87 | 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 |
AD04447
Formula: C4H10O3NP
Smiles:
COP1(=O)NCCCO1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.1 | Num_heavy_atoms: | 9 |
| TPSA: | 47.56 | NumAromaticRings: | 0 |
