Glycoside
GD114202
Name:
3-Phenylpropyl GlucosinolateFormula:
C16H23O9NS2Smiles:
O=S(=O)(O)ON=C(CCCc1ccccc1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)CCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.49 | Num_heavy_atoms: | 28 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD44896
Formula: C10H13O4NS2
Smiles:
O=S(=O)(O)ON=C(S)CCCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.35 | Num_heavy_atoms: | 17 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
