Glycoside
GD139960
Name:
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[2-(docosa-10,13,16-trienoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)phosphinic acidFormula:
C52H91O15N3P2Smiles:
CCCCCC=CCC=CCC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1OAglycone:
CCCCCC=CCC=CCC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 11.8 | Num_rotatable_bonds: | 45 |
| MolWt: | 1060.25 | Num_heavy_atoms: | 72 |
| 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 |
AD56437
Formula: C44H82O11P2
Smiles:
CCCCCC=CCC=CCC=CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC| HBA: | 11 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 13.73 | Num_rotatable_bonds: | 42 |
| MolWt: | 849.08 | Num_heavy_atoms: | 57 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
