Glycoside
GD002167
Name:
NoneFormula:
C22H30O10Smiles:
CC=CCC[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@H](OC)[C@H](O)[C@H]3O)c(OC)c(O)c2C(=O)O1Aglycone:
CC=CCCC1Cc2cc(O)c(OC)c(O)c2C(=O)O1Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.47 | Num_heavy_atoms: | 32 |
| TPSA: | 144.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD02097
Formula: C15H18O5
Smiles:
CC=CCCC1Cc2cc(O)c(OC)c(O)c2C(=O)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
