Glycoside
GD028928
Name:
NoneFormula:
C36H42O6Smiles:
C=CC=C[C@H](O)CC(=C)C[C@@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
C=CC=CC(O)CC(=C)C.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 16 |
| MolWt: | 570.73 | Num_heavy_atoms: | 42 |
| TPSA: | 66.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD18862
Formula: C9H14O
Smiles:
C=CC=CC(O)CC(=C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 138.21 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
