Glycoside
GD100126
Name:
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C23H22O10Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)ccc12Aglycone:
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.42 | Num_heavy_atoms: | 33 |
| TPSA: | 148.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD20889
Formula: C17H12O5
Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 296.28 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
