Glycoside
GD122552
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 2-amino-3-[(phenylcarbamoyl)sulfanyl]propanoateFormula:
C16H22O8N2SSmiles:
NC(CSC(O)=Nc1ccccc1)C(=O)OCC1OC(O)C(O)C(O)C1OAglycone:
COC(=O)C(N)CSC(O)=Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.43 | Num_heavy_atoms: | 27 |
| TPSA: | 175.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD49395
Formula: C11H14O3N2S
Smiles:
COC(=O)C(N)CSC(O)=Nc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.31 | Num_heavy_atoms: | 17 |
| TPSA: | 84.91 | NumAromaticRings: | 1 |
