Glycoside
GD037990
Name:
5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosineFormula:
C19H20O9N5PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OC(=O)C=CC2=CCC(=O)C=C2)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C=CC1=CCC(=O)C=C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.37 | Num_heavy_atoms: | 34 |
| TPSA: | 209.21 | 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 |
AD23815
Formula: C10H11O6P
Smiles:
COP(=O)(O)OC(=O)C=CC1=CCC(=O)C=C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.17 | Num_heavy_atoms: | 17 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
