Glycoside
GD120511
Name:
5-(2-{4-[2-(5-hydroxy-2-methylcyclohexylidene)ethylidene]-7a-methyl-octahydro-1H-inden-1-yl}propyl)-3-methyloxolane-2,3-diolFormula:
C27H44O4Smiles:
CC1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CC1CC(C)(O)C(O)O1Aglycone:
CC1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CSugarmoiety:
CC1(O)CC(O)OC1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD48426
Formula: C22H36O
Smiles:
CC1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.53 | Num_heavy_atoms: | 23 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
