Glycoside
GD086457
Name:
NoneFormula:
C12H18O9N5PSSmiles:
C=CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]1OAglycone:
C=CS(=O)(=O)Nc1ncnc2c1N=C[N]2.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.34 | Num_heavy_atoms: | 28 |
| TPSA: | 209.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD30421
Formula: C7H6O2N5S
Smiles:
C=CS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.22 | Num_heavy_atoms: | 15 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
