Glycoside
GD030423
Name:
NoneFormula:
C21H28O9Smiles:
CC=CCC[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@H](OC)[C@H](O)[C@H]3O)cc(O)c2C(=O)O1Aglycone:
CC=CCCC1Cc2cc(O)cc(O)c2C(=O)O1Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD19686
Formula: C14H16O4
Smiles:
CC=CCCC1Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
