Glycoside
GD141036
Name:
6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-5,6-dihydro-2H-pyran-2-oneFormula:
C14H22O8Smiles:
CC(CC1CC=CC(=O)O1)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CC1CC=CC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 318.32 | Num_heavy_atoms: | 22 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD56848
Formula: C8H12O3
Smiles:
CC(O)CC1CC=CC(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.18 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
