Glycoside
GD124848
Name:
4-Hydroxybenzyl Glucosinolate; 4-(4-O-Acetyl-α-L-Rhamnopyranoside)Formula:
C22H31O15NS2Smiles:
CC(=O)OC1C(C)OC(Oc2ccc(CC(=NOS(=O)(=O)O)SC3OC(CO)C(O)C(O)C3O)cc2)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 613.62 | Num_heavy_atoms: | 40 |
| TPSA: | 251.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD48350
Formula: C8H9O5NS2
Smiles:
O=S(=O)(O)ON=C(S)Cc1ccc(O)cc1| 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 |
