Glycoside
GD145433
Name:
1-Sulfo-Indol-3-Ylmethyl GlucosinolateFormula:
C16H20O13N2S3Smiles:
O=S(=O)(O)ON=C(Cc1cn(OS(=O)(=O)O)c2ccccc12)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1cn(OS(=O)(=O)O)c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 544.54 | Num_heavy_atoms: | 34 |
| TPSA: | 234.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD58376
Formula: C10H10O8N2S3
Smiles:
O=S(=O)(O)ON=C(S)Cc1cn(OS(=O)(=O)O)c2ccccc12| HBA: | 10 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.4 | Num_heavy_atoms: | 23 |
| TPSA: | 144.49 | NumAromaticRings: | 2 |
