Glycoside
GD036624
Name:
NoneFormula:
C13H20O7N5PSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](CCCCP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CCCCP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.3 | Num_heavy_atoms: | 26 |
| TPSA: | 196.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD23089
Formula: C4H11O3P
Smiles:
CCCCP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 138.1 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
