Glycoside
GD140183
Name:
2-Hydroxybenzyl GlucosinolateFormula:
C14H19O10NS2Smiles:
O=S(=O)(O)ON=C(Cc1ccccc1O)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.44 | Num_heavy_atoms: | 27 |
| TPSA: | 186.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD54610
Formula: C8H9O5NS2
Smiles:
O=S(=O)(O)ON=C(S)Cc1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.3 | Num_heavy_atoms: | 16 |
| TPSA: | 96.19 | NumAromaticRings: | 1 |
