Glycoside
GD123370
Name:
DesulfogluconapinFormula:
C11H19O6NSSmiles:
C=CCCC(=NO)SC1OC(CO)C(O)C(O)C1OAglycone:
C=CCCC(S)=NOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.34 | Num_heavy_atoms: | 19 |
| TPSA: | 122.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD49778
Formula: C5H9ONS
Smiles:
C=CCCC(S)=NO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.2 | Num_heavy_atoms: | 8 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
