Glycoside
GD037390
Name:
Houttuynoid BFormula:
C32H38O12Smiles:
CCCCCCCCCc1cc2c(-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc(O)c2o1Aglycone:
CCCCCCCCCc1cc2c(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc(O)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 614.64 | Num_heavy_atoms: | 44 |
| TPSA: | 203.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD23558
Formula: C26H28O7
Smiles:
CCCCCCCCCc1cc2c(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc(O)c2o1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 452.5 | Num_heavy_atoms: | 33 |
| TPSA: | 124.27 | NumAromaticRings: | 4 |
