Glycoside
GD120066
Name:
2-hydroxy-8,8-dimethyl-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5,8-tetrahydro-2H-1,4-benzothiazine-3,5-dioneFormula:
C17H23O9NSSmiles:
CC1(C)C(COC2OC(CO)C(O)C(O)C2O)=CC(=O)C2=C1SC(O)C(O)=N2Aglycone:
CC1(C)C(CO)=CC(=O)C2=C1SC(O)C(O)=N2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 417.44 | Num_heavy_atoms: | 28 |
| TPSA: | 169.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD48187
Formula: C11H13O4NS
Smiles:
CC1(C)C(CO)=CC(=O)C2=C1SC(O)C(O)=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 255.29 | Num_heavy_atoms: | 17 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
