Glycoside
GD108061
Name:
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C24H21O10F3Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12Aglycone:
O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.42 | Num_heavy_atoms: | 37 |
| TPSA: | 148.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD44393
Formula: C18H11O5F3
Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.28 | Num_heavy_atoms: | 26 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
