Glycoside
GD119494
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(4a-methyl-8-methylidene-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enoateFormula:
C21H28O8Smiles:
C=C(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C=CC(=O)C(=C)C2C1Aglycone:
C=C(C(=O)O)C1CCC2(C)C=CC(=O)C(=C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD47884
Formula: C15H18O3
Smiles:
C=C(C(=O)O)C1CCC2(C)C=CC(=O)C(=C)C2C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
