Glycoside
GD130326
Name:
5-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydrofuran-2-oneFormula:
C11H16O8Smiles:
CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(=O)O1Aglycone:
CC1(O)C=CC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 19 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD52810
Formula: C5H6O3
Smiles:
CC1(O)C=CC(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
