Glycoside
GD135008
Name:
2-(Alpha-L-Rhamnopyranosyloxy)Benzyl GlucosinolateFormula:
C20H29O14NS2Smiles:
CC1OC(Oc2ccccc2CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1ccccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.58 | Num_heavy_atoms: | 37 |
| TPSA: | 245.26 | 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 |
