Glycoside
GD125280
Name:
2-(hydroxymethyl)-6-[(5-methanesulfinylpentanimidoyl)sulfanyl]oxane-3,4,5-triolFormula:
C12H23O6NS2Smiles:
CS(=O)CCCCC(=N)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)CCCCC(=N)SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 341.45 | Num_heavy_atoms: | 21 |
| TPSA: | 131.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD50663
Formula: C6H13ONS2
Smiles:
CS(=O)CCCCC(=N)S| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 179.31 | Num_heavy_atoms: | 10 |
| TPSA: | 40.92 | NumAromaticRings: | 0 |
