Glycoside
GD031545
Name:
NoneFormula:
C25H36O10Smiles:
C=C[C@@]1(C)CCC2=C(C(=O)O[C@]23CCCC(C)(C)[C@H]3C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
C=CC1(C)CCC2=C(C(=O)OC23CCCC(C)(C)C3C(=O)O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.55 | Num_heavy_atoms: | 35 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD20315
Formula: C19H26O5
Smiles:
C=CC1(C)CCC2=C(C(=O)OC23CCCC(C)(C)C3C(=O)O)C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.41 | Num_heavy_atoms: | 24 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
