Glycoside
GD134075
Name:
3-methyl-6-{6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]heptan-2-yl}cyclohex-2-en-1-oneFormula:
C21H36O6Smiles:
CC1=CC(=O)C(C(C)CCC(OC2OC(C)C(O)C(O)C2O)C(C)C)CC1Aglycone:
CC1=CC(=O)C(C(C)CCC(O)C(C)C)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.51 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD54244
Formula: C15H26O2
Smiles:
CC1=CC(=O)C(C(C)CCC(O)C(C)C)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
