Glycoside
GD141040
Name:
4-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydrocyclopenta[c]pyran-5-yl 4-hydroxybenzoateFormula:
C22H30O11Smiles:
CC1CC(OC(=O)c2ccc(O)cc2)C2C(O)COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1CC(OC(=O)c2ccc(O)cc2)C2C(O)COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.47 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD56852
Formula: C16H20O6
Smiles:
CC1CC(OC(=O)c2ccc(O)cc2)C2C(O)COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.33 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
