Glycoside
GD122611
Name:
2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]-1-hydroxyethane-1-sulfonic acidFormula:
C17H26O13SSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(O)S(=O)(=O)OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(O)S(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.45 | Num_heavy_atoms: | 31 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD49426
Formula: C11H16O8S
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(O)S(=O)(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.31 | Num_heavy_atoms: | 20 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
