Glycoside
GD039714
Name:
~{n}-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamideFormula:
C28H24O8NF3Smiles:
O=C(NC[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3c(F)c(F)ccc3oc2=O)[C@@H]1O)c1ccc(F)c2ccccc12Aglycone:
CNC(=O)c1ccc(F)c2ccccc12.O=c1oc2ccc(F)c(F)c2cc1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 559.49 | Num_heavy_atoms: | 40 |
| TPSA: | 138.46 | NumAromaticRings: | 4 |
Unique Aglycone
AD07016
Formula: C10H6O3F2
Smiles:
O=c1oc2ccc(F)c(F)c2cc1CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.15 | Num_heavy_atoms: | 15 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
AD24514
Formula: C12H10ONF
Smiles:
CNC(=O)c1ccc(F)c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.22 | Num_heavy_atoms: | 15 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
