Glycoside
GD130293
Name:
SulfoglucobrassicinFormula:
C16H20O12N2S3Smiles:
O=S(=O)(O)ON=C(Cc1cn(S(=O)(=O)O)c2ccccc12)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)Cc1cn(S(=O)(=O)O)c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.54 | Num_heavy_atoms: | 33 |
| TPSA: | 225.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD52798
Formula: C10H10O7N2S3
Smiles:
O=S(=O)(O)ON=C(S)Cc1cn(S(=O)(=O)O)c2ccccc12| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.4 | Num_heavy_atoms: | 22 |
| TPSA: | 135.26 | NumAromaticRings: | 2 |
