Glycoside
GD037991
Name:
5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosineFormula:
C19H18O10N5PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OC(=O)C=CC2=CC(=O)C(=O)C=C2)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C=CC1=CC(=O)C(=O)C=C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 507.35 | Num_heavy_atoms: | 35 |
| TPSA: | 226.28 | 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 |
AD23816
Formula: C10H9O7P
Smiles:
COP(=O)(O)OC(=O)C=CC1=CC(=O)C(=O)C=C1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.15 | Num_heavy_atoms: | 18 |
| TPSA: | 106.97 | NumAromaticRings: | 0 |
