Glycoside
GD119305
Name:
DesulfoglucobrassicinFormula:
C16H20O6N2SSmiles:
OCC1OC(SC(Cc2c[nH]c3ccccc23)=NO)C(O)C(O)C1OAglycone:
ON=C(S)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.41 | Num_heavy_atoms: | 25 |
| TPSA: | 138.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD47773
Formula: C10H10ON2S
Smiles:
ON=C(S)Cc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.27 | Num_heavy_atoms: | 14 |
| TPSA: | 48.38 | NumAromaticRings: | 2 |
