Glycoside
GD138774
Name:
Seguinoside HFormula:
C22H26O13Smiles:
O=C(OCC1(O)COC(OC2C(Oc3ccc(O)cc3)OC(CO)C(O)C2O)C1O)c1ccco1Aglycone:
COC(=O)c1ccco1.Oc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.44 | Num_heavy_atoms: | 35 |
| TPSA: | 197.74 | 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 |
AD04664
Formula: C6H6O3
Smiles:
COC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 39.44 | NumAromaticRings: | 1 |
