Glycoside
GD130027
Name:
Illihenryifunone BFormula:
C20H30O9Smiles:
C=CCC12CC(O)C(=O)C=C1OC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)C2Aglycone:
C=CCC12CC(O)C(=O)C=C1OC(C(C)(C)O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.45 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52684
Formula: C14H20O4
Smiles:
C=CCC12CC(O)C(=O)C=C1OC(C(C)(C)O)C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.31 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
