Glycoside
GD153658
Name:
3-(4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1cc(O)c2c(=O)c(-c3ccc(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c(OC)c3)coc2c1Aglycone:
COc1cc(O)c2c(=O)c(-c3ccc(O)c(OC)c3)coc2c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD61084
Formula: C17H14O6
Smiles:
COc1cc(O)c2c(=O)c(-c3ccc(O)c(OC)c3)coc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
