Glycoside
GD132247
Name:
[2-(decyloxy)-3-(dodecylsulfanyl)propoxy]({[5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acidFormula:
C34H62O10N2FPSSmiles:
CCCCCCCCCCCCSCC(COP(=O)(O)OCC1OC(n2cc(F)c(O)nc2=O)C(O)C1O)OCCCCCCCCCCAglycone:
CCCCCCCCCCCCSCC(COP(=O)(O)OC)OCCCCCCCCCC.O=c1nc(O)c(F)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 30 |
| MolWt: | 740.91 | Num_heavy_atoms: | 49 |
| TPSA: | 169.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD04649
Formula: C4H3O2N2F
Smiles:
O=c1nc(O)c(F)c[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD13845
Formula: C26H55O5PS
Smiles:
CCCCCCCCCCCCSCC(COP(=O)(O)OC)OCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 8.93 | Num_rotatable_bonds: | 27 |
| MolWt: | 510.76 | Num_heavy_atoms: | 33 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
