Glycoside
GD133212
Name:
NoneFormula:
C36H54O12Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(OC(C)(C=C)CCC=C(C)C(=O)O)C(O)C(OC(=O)C(C)=CCCC(C)(O)C=C)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 20 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD01642
Formula: C10H16O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD16362
Formula: C11H18O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
