Glycoside
GD003172
Name:
VANILLOYL CALLERYANINFormula:
C21H24O11Smiles:
COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c2)ccc1OAglycone:
COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD02905
Formula: C15H14O6
Smiles:
COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
