Glycoside
GD023300
Name:
4-[(4'-O-Acetyl-Α-L-Rhamnosyloxy) Benzyl]IsothiocyanateFormula:
C16H19O6NSSmiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2ccc(CN=C=S)cc2)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CN=C=S)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 97.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD15460
Formula: C8H7ONS
Smiles:
Oc1ccc(CN=C=S)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.22 | Num_heavy_atoms: | 11 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
