Glycoside
GD131938
Name:
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[4-(3-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-1,2-dihydroxypropyl)-2-oxo-1,3,2λâµ-dioxaphospholan-2-yl]oxy})phosphinic acidFormula:
C27H31O14N9P2Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(O)C(O)C3COP(=O)(OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)O3)c2cc1CAglycone:
COP(=O)(O)OP1(=O)OCC(C(O)C(O)Cn2c3nc(=O)nc(O)c-3nc3cc(C)c(C)cc32)O1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 767.54 | Num_heavy_atoms: | 52 |
| TPSA: | 331.96 | 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 |
AD53423
Formula: C18H22O11N4P2
Smiles:
COP(=O)(O)OP1(=O)OCC(C(O)C(O)Cn2c3nc(=O)nc(O)c-3nc3cc(C)c(C)cc32)O1| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.34 | Num_heavy_atoms: | 35 |
| TPSA: | 212.65 | NumAromaticRings: | 1 |
