Glycoside
GD120222
Name:
[4-(acetyloxy)-3,5-dihydroxy-6-[(8-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl)oxy]oxan-2-yl]methyl 3-methylbutanoateFormula:
C23H38O9Smiles:
C=C(CCC=C(C)CO)CCOC1OC(COC(=O)CC(C)C)C(O)C(OC(C)=O)C1OAglycone:
C=C(CCO)CCC=C(C)CO.COC(=O)CC(C)CSugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 458.55 | Num_heavy_atoms: | 32 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01663
Formula: C6H12O2
Smiles:
COC(=O)CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48264
Formula: C10H18O2
Smiles:
C=C(CCO)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
