Glycoside
GD022028
Name:
AdenylylsulfateFormula:
C10H14O10N5PSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OS(=O)(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.29 | Num_heavy_atoms: | 27 |
| TPSA: | 229.44 | 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 |
AD03180
Formula: CH5O7PS
Smiles:
COP(=O)(O)OS(=O)(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.08 | Num_heavy_atoms: | 10 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
