Glycoside
GD116605
Name:
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2,3,4-trihydroxy-5-{6-hydroxy-7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentyl)oxy]phosphoryl}oxy)phosphinic acidFormula:
C27H33O16N9P2Smiles:
Cc1cc2c(nc3c(O)nc(=O)nc-3n2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)c(O)c1CAglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2c(nc3c(O)nc(=O)nc-3n2C)c(O)c1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 801.56 | Num_heavy_atoms: | 54 |
| TPSA: | 383.42 | NumAromaticRings: | 3 |
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 |
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD46341
Formula: C13H12O3N4
Smiles:
Cc1cc2c(nc3c(O)nc(=O)nc-3n2C)c(O)c1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 101.13 | NumAromaticRings: | 1 |
