Glycoside
GD128935
Name:
5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-sulfonic acidFormula:
C16H22O12SSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(S(=O)(=O)O)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(S(=O)(=O)O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.41 | Num_heavy_atoms: | 29 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD52225
Formula: C10H12O7S
Smiles:
C=CC1C(O)OC=C2C(=O)OC(S(=O)(=O)O)CC21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.27 | Num_heavy_atoms: | 18 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
