Glycoside
GD113747
Name:
NoneFormula:
C43H42O8Smiles:
CC(=O)O[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(C)=OAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 7.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 686.8 | Num_heavy_atoms: | 51 |
| TPSA: | 89.52 | NumAromaticRings: | 5 |
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 |
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
