Glycoside
GD123989
Name:
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[3-(hexadecanoyloxy)-2-(icosa-5,8,11,14-tetraenoyloxy)propoxy](hydroxy)phosphoryl}oxy)phosphinic acidFormula:
C48H81O15N3P2Smiles:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1OAglycone:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)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: | 0.71 |
| AlogP: | 10.02 | Num_rotatable_bonds: | 40 |
| MolWt: | 1002.13 | 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 |
AD50063
Formula: C40H72O11P2
Smiles:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC| HBA: | 11 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 11.95 | Num_rotatable_bonds: | 37 |
| MolWt: | 790.95 | Num_heavy_atoms: | 53 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
