Glycoside
GD143043
Name:
7-({3,4-dihydroxy-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohexyl}oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C34H42O19Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4CC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OC(O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4CC(CO)C(O)C(O)C4O)cc3o2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 754.69 | Num_heavy_atoms: | 53 |
| TPSA: | 308.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD57546
Formula: C23H24O9
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4CC(CO)C(O)C(O)C4O)cc3o2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.44 | Num_heavy_atoms: | 32 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
