Glycoside
GD144754
Name:
2-{[3-hydroxy-6-(methoxyimino)-3,6-dihydro-2H-thiopyran-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C18H29O13NSSmiles:
CON=C1C=CC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)S1Aglycone:
CON=C1C=CC(O)C(O)S1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -4.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.49 | Num_heavy_atoms: | 33 |
| TPSA: | 220.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD44999
Formula: C6H9O3NS
Smiles:
CON=C1C=CC(O)C(O)S1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.21 | Num_heavy_atoms: | 11 |
| TPSA: | 62.05 | NumAromaticRings: | 0 |
