Glycoside
GD142487
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoateFormula:
C24H36O15Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(C)(O)C(O)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -4.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.54 | Num_heavy_atoms: | 39 |
| TPSA: | 245.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD47280
Formula: C12H16O5
Smiles:
CC(C)(O)C(O)C(=O)OCc1ccc(O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 240.25 | Num_heavy_atoms: | 17 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
