Glycoside
GD113974
Name:
NoneFormula:
C40H42O5SSmiles:
C=CCO[C@@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](Sc2ccccc2)[C@H](OCC=C)[C@@H]1OCC=CAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.Sc1ccccc1Sugarmoiety:
C=CCOC1C(O)OC(O)C(OCC=C)C1OCC=COther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 8.23 | Num_rotatable_bonds: | 17 |
| MolWt: | 634.84 | Num_heavy_atoms: | 46 |
| TPSA: | 46.15 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD07729
Formula: C6H6S
Smiles:
Sc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.18 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
