Glycoside
GD109678
Name:
NoneFormula:
C27H31O11NSSmiles:
COc1ccc(/C=N\[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COS(=O)(=O)c3ccc(C)cc3)O[C@@H]2OC(C)=O)cc1Aglycone:
COS(=O)(=O)c1ccc(C)cc1.COc1ccc(C=N)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 577.61 | Num_heavy_atoms: | 40 |
| TPSA: | 153.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
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 |
