Glycoside
GD141825
Name:
2,2,5,7-tetramethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-oneFormula:
C21H30O7Smiles:
Cc1cc2c(c(C)c1CCOC1OC(CO)C(O)C(O)C1O)C(=O)C(C)(C)C2Aglycone:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)(C)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD57106
Formula: C15H20O2
Smiles:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)(C)C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.32 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
