Glycoside
GD115650
Name:
CalleryaninFormula:
C13H18O8Smiles:
OCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
OCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.28 | Num_heavy_atoms: | 21 |
| TPSA: | 139.84 | 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 |
