Glycoside
GD151628
Name:
2,6,6-trimethyl-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]cyclohex-1-ene-1-carboxylic acidFormula:
C16H26O8Smiles:
CC1=C(C(=O)O)C(C)(C)CC(OCC2OC(O)C(O)C(O)C2O)C1Aglycone:
COC1CC(C)=C(C(=O)O)C(C)(C)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60447
Formula: C11H18O3
Smiles:
COC1CC(C)=C(C(=O)O)C(C)(C)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
