Glycoside
GD134716
Name:
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[3-(octadec-11-enoyloxy)-2-(octadec-9-enoyloxy)propoxy]phosphoryl}oxy)phosphinic acidFormula:
C48H85O15N3P2Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O)OC(=O)CCCCCCCC=CCCCCCCCCAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCC=CCCCCCCCC.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 10.47 | Num_rotatable_bonds: | 42 |
| MolWt: | 1006.16 | Num_heavy_atoms: | 68 |
| TPSA: | 266.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
AD54494
Formula: C40H76O11P2
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCC=CCCCCCCCC| HBA: | 11 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 12.4 | Num_rotatable_bonds: | 39 |
| MolWt: | 794.98 | Num_heavy_atoms: | 53 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
