Glycoside
GD123664
Name:
Symcomoside BFormula:
C28H36O18Smiles:
COc1cc(COC(=O)c2cc(O)c(O)c(O)c2)cc(OC)c1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
COc1cc(COC(=O)c2cc(O)c(O)c(O)c2)cc(OC)c1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 660.58 | Num_heavy_atoms: | 46 |
| TPSA: | 283.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD49930
Formula: C16H16O8
Smiles:
COc1cc(COC(=O)c2cc(O)c(O)c(O)c2)cc(OC)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.3 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
