Glycoside
GD134039
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoateFormula:
C33H42O17Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C(OC(=O)C=Cc1ccc(O)cc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(C)(O)C(OC(=O)C=Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 710.68 | Num_heavy_atoms: | 50 |
| TPSA: | 271.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD54227
Formula: C21H22O7
Smiles:
CC(C)(O)C(OC(=O)C=Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
