Glycoside
GD137690
Name:
6-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-4,5-dihydroxy-2-methyloxan-3-yl acetateFormula:
C18H25O7NSSmiles:
CCOC(S)=NCc1ccc(OC2OC(C)C(OC(C)=O)C(O)C2O)cc1Aglycone:
CCOC(S)=NCc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.47 | Num_heavy_atoms: | 27 |
| TPSA: | 106.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD52469
Formula: C10H13O2NS
Smiles:
CCOC(S)=NCc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 211.29 | Num_heavy_atoms: | 14 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
