Glycoside
GD157154
Name:
7-({[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-8,8-dimethyl-3,4,5,8-tetrahydro-2H-1,4-benzothiazine-3,5-dioneFormula:
C22H31O12NSSmiles:
CC1(C)C(COC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)=CC(=O)C2=C1SCC(O)=N2Aglycone:
CC1(C)C(CO)=CC(=O)C2=C1SCC(O)=N2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.55 | Num_heavy_atoms: | 36 |
| TPSA: | 207.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD45339
Formula: C11H13O3NS
Smiles:
CC1(C)C(CO)=CC(=O)C2=C1SCC(O)=N2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 239.3 | Num_heavy_atoms: | 16 |
| TPSA: | 69.89 | NumAromaticRings: | 0 |
