Glycoside
GD156306
Name:
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[8,12-dihydroxy-5-methyl-11,13-bis(methylamino)-7-oxo-2,4,9-trioxatricyclo[8.4.0.0³,â¸]tetradecan-14-yl]oxy})phosphinic acidFormula:
C24H36O13N7PSmiles:
CNC1C(O)C(NC)C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C2OC3OC(C)CC(=O)C3(O)OC12Aglycone:
CNC1C(O)C(NC)C(OP(=O)(O)OC)C2OC3OC(C)CC(=O)C3(O)OC12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 661.56 | Num_heavy_atoms: | 45 |
| TPSA: | 284.35 | 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 |
AD61909
Formula: C15H27O10N2P
Smiles:
CNC1C(O)C(NC)C(OP(=O)(O)OC)C2OC3OC(C)CC(=O)C3(O)OC12| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.36 | Num_heavy_atoms: | 28 |
| TPSA: | 165.04 | NumAromaticRings: | 0 |
