Glycoside
GD137156
Name:
2-{[2-(4-hydroperoxy-4-methylcyclohex-2-en-1-yl)-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C21H36O8Smiles:
CC(=CCCC(C)(OC1OC(C)C(O)C(O)C1O)C1C=CC(C)(OO)CC1)COAglycone:
CC(=CCCC(C)(O)C1C=CC(C)(OO)CC1)COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD55428
Formula: C15H26O4
Smiles:
CC(=CCCC(C)(O)C1C=CC(C)(OO)CC1)CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 270.37 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
