Glycoside
GD104561
Name:
NoneFormula:
C22H27O9NSSmiles:
COc1ccc(/C=N/[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](CSC(C)=O)O[C@@H]2OC(C)=O)cc1Aglycone:
COc1ccc(C=N)cc1.CSC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.52 | Num_heavy_atoms: | 33 |
| TPSA: | 126.79 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD18804
Formula: C8H9ON
Smiles:
COc1ccc(C=N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 33.08 | NumAromaticRings: | 1 |
