Glycoside
GD143323
Name:
NoneFormula:
C27H36O16Smiles:
OCC(O)C(O)C(O)C(O)CO[C]1C=C(O)C=C2[OH+]C(c3ccc(O)c(O)c3)=C(OCC(O)C(O)C(O)C(O)CO)C=C12Aglycone:
OC1=CCC2=CC=C(c3ccc(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
OCC(O)C(O)C(O)C(O)COO.[O]OCC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.44 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 15 |
| MolWt: | 616.57 | Num_heavy_atoms: | 43 |
| TPSA: | 294.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD57655
Formula: C15H13O4
Smiles:
OC1=CCC2=CC=C(c3ccc(O)c(O)c3)[OH+]C2=C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 257.26 | Num_heavy_atoms: | 19 |
| TPSA: | 73.49 | NumAromaticRings: | 1 |
