Glycoside
GD017087
Name:
CNIDIMOSIDE BFormula:
C22H28O10Smiles:
COc1cc2oc(C)cc(=O)c2c(O)c1CC=C(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc2oc(C)cc(=O)c2c(O)c1CC=C(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD12242
Formula: C16H18O5
Smiles:
COc1cc2oc(C)cc(=O)c2c(O)c1CC=C(C)CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
