Glycoside
GD147390
Name:
2-(Alpha-L-Arabinopyranosyloxyl)-2-Phenylethyl GlucosinolateFormula:
C20H29O14NS2Smiles:
O=S(=O)(O)ON=C(CC(OC1OCC(O)C(O)C1O)c1ccccc1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)CC(O)c1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 571.58 | Num_heavy_atoms: | 37 |
| TPSA: | 245.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD49698
Formula: C9H11O5NS2
Smiles:
O=S(=O)(O)ON=C(S)CC(O)c1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 277.32 | Num_heavy_atoms: | 17 |
| TPSA: | 96.19 | NumAromaticRings: | 1 |
