Glycoside
GD137849
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-oneFormula:
C30H36O16Smiles:
COc1cc(OC)c(-c2coc3cc(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c(OC)cc3c2=O)cc1OCAglycone:
COc1cc2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2cc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 225.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD55671
Formula: C19H18O7
Smiles:
COc1cc2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
