Glycoside
GD133831
Name:
3-(2H-1,3-benzodioxol-5-yl)-7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,6-dimethoxy-4H-chromen-4-oneFormula:
C29H32O16Smiles:
COc1c(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1OCAglycone:
COc1c(O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1OCSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 225.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD49232
Formula: C18H14O7
Smiles:
COc1c(O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1OC| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
