Glycoside
GD086327
Name:
NoneFormula:
C9H16O11N6P2Smiles:
Nc1nc2c(nnn2[C@@H]2O[C@H](CO[PH](O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
CO[PH](O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.21 | Num_heavy_atoms: | 28 |
| TPSA: | 268.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD24919
Formula: C4H3ON6
Smiles:
Nc1nc2c(c(=O)[nH]1)N=N[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 110.59 | NumAromaticRings: | 1 |
AD36266
Formula: CH8O7P2
Smiles:
CO[PH](O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
