Glycoside
GD148982
Name:
Secologanoside 7-Methyl EsterFormula:
C17H24O11Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD16726
Formula: C11H14O6
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
