Glycoside
GD093309
Name:
NoneFormula:
C21H26O8SSmiles:
C=CCO[C@H]1[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](Sc2ccccc2)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Sc1ccccc1Sugarmoiety:
C=CCOC1OC(COC(C)=O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.5 | Num_heavy_atoms: | 30 |
| TPSA: | 97.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
