Glycoside
GD005208
Name:
NoneFormula:
C24H28O12SSmiles:
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CSC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C=CC1C2=CCOC(=O)C2=COC1O.CSC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.54 | Num_heavy_atoms: | 37 |
| TPSA: | 149.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD04451
Formula: C3H6OS
Smiles:
CSC(C)=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 90.15 | Num_heavy_atoms: | 5 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
