Glycoside
GD139619
Name:
{[6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxy-2-oxo-tetrahydro-2H-2λâµ-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acidFormula:
C19H24O13N8P2Smiles:
N=c1ccn(C2OC(COP(=O)(O)OC3C(CO)OC(n4cnc5c(N)ncnc54)C3O)C3OP(=O)(O)OC32)c(O)n1Aglycone:
N=c1ccn(C2OC(COP(=O)(O)O)C3OP(=O)(O)OC32)c(O)n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.39 | Num_heavy_atoms: | 42 |
| TPSA: | 301.96 | 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 |
AD56300
Formula: C9H13O10N3P2
Smiles:
N=c1ccn(C2OC(COP(=O)(O)O)C3OP(=O)(O)OC32)c(O)n1| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.16 | Num_heavy_atoms: | 24 |
| TPSA: | 193.65 | NumAromaticRings: | 1 |
