Glycoside
GD037992
Name:
5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosineFormula:
C20H22O10N5PSmiles:
COC1=CC(C=CC(=O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)=CCC1=OAglycone:
COC1=CC(C=CC(=O)OP(=O)(O)OC)=CCC1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.4 | Num_heavy_atoms: | 36 |
| TPSA: | 218.44 | 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 |
AD23817
Formula: C11H13O7P
Smiles:
COC1=CC(C=CC(=O)OP(=O)(O)OC)=CCC1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.19 | Num_heavy_atoms: | 19 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
