Glycoside
GD148711
Name:
NoneFormula:
C12H21O11NS3Smiles:
CS(=O)C=CCC(C(O)=NOS(=O)(=O)O)C1(S)OC(CO)C(O)C(O)C1OAglycone:
CS(=O)C=CCCC(O)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)(S)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 451.5 | Num_heavy_atoms: | 27 |
| TPSA: | 203.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD59496
Formula: C6H11O6NS2
Smiles:
CS(=O)C=CCCC(O)=NOS(=O)(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 257.29 | Num_heavy_atoms: | 15 |
| TPSA: | 113.26 | NumAromaticRings: | 0 |
