Glycoside
GD027167
Name:
SEGUINOSIDE EFormula:
C25H32O13Smiles:
COc1cc(COC[C@]2(O)CO[C@H](O[C@@H]3[C@H](Oc4ccc(O)cc4)O[C@H](CO)[C@H](O)[C@H]3O)[C@H]2O)ccc1OAglycone:
COCc1ccc(O)c(OC)c1.Oc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD09077
Formula: C9H12O3
Smiles:
COCc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
