Glycoside
GD117761
Name:
6'-O-Beta-D-ApiofuranosylcalleryaninFormula:
C18H26O12Smiles:
OCc1ccc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c(O)c1Aglycone:
OCc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.39 | Num_heavy_atoms: | 30 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD45787
Formula: C7H8O3
Smiles:
OCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
