Glycoside
GD132527
Name:
Seguinoside JFormula:
C23H32O12Smiles:
CCCC=CC(=O)OCC1(O)COC(OC2C(Oc3ccc(O)cc3)OC(CO)C(O)C2O)C1OAglycone:
CCCC=CC(=O)OC.Oc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 500.5 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
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 |
AD53663
Formula: C7H12O2
Smiles:
CCCC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 128.17 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
