Glycoside
GD014304
Name:
Houttuynoid AFormula:
C33H38O13Smiles:
CCCCCCCCCc1oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2c1C=OAglycone:
CCCCCCCCCc1oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)c2c1C=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 642.65 | Num_heavy_atoms: | 46 |
| TPSA: | 220.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD10537
Formula: C27H28O8
Smiles:
CCCCCCCCCc1oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)c2c1C=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 480.51 | Num_heavy_atoms: | 35 |
| TPSA: | 141.34 | NumAromaticRings: | 4 |
