Glycoside
GD100044
Name:
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C24H24O10Smiles:
O=c1c(-c2ccc3c(c2)OCCCO3)coc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12Aglycone:
O=c1c(-c2ccc3c(c2)OCCCO3)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.45 | Num_heavy_atoms: | 34 |
| TPSA: | 148.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD42291
Formula: C18H14O5
Smiles:
O=c1c(-c2ccc3c(c2)OCCCO3)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 310.3 | Num_heavy_atoms: | 23 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
