Glycoside
GD070893
Name:
NoneFormula:
C21H26O4SSmiles:
CO[C@@H]1[C@H](Sc2ccccc2)O[C@H](C)[C@@H](OCc2ccccc2)[C@H]1OCAglycone:
OCc1ccccc1.Sc1ccccc1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 374.5 | Num_heavy_atoms: | 26 |
| TPSA: | 36.92 | NumAromaticRings: | 2 |
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 |
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 |
