Glycoside
GD125655
Name:
DesulfogluconasturtiinFormula:
C15H21O6NSSmiles:
OCC1OC(SC(CCc2ccccc2)=NO)C(O)C(O)C1OAglycone:
ON=C(S)CCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.4 | Num_heavy_atoms: | 23 |
| TPSA: | 122.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD50828
Formula: C9H11ONS
Smiles:
ON=C(S)CCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.26 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
