Glycoside
GD128941
Name:
3-methyl-2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl 3-methylbutanoateFormula:
C21H32O10Smiles:
CC(C)CC(=O)OC1CC=C(OOC2OC(CO)C(O)C(O)C2O)C2CC(=O)C(C)C12Aglycone:
CC(C)CC(=O)OC1CC=C(OO)C2CC(=O)C(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD52226
Formula: C15H22O5
Smiles:
CC(C)CC(=O)OC1CC=C(OO)C2CC(=O)C(C)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
