Glycoside
GD140963
Name:
Secologanic AcidFormula:
C16H22O10Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=OAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD56828
Formula: C10H12O5
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
