Glycoside
GD020826
Name:
NoneFormula:
C28H30O12Smiles:
COc1cc(C)cc2c1C(=O)c1c(O)cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2OC(C)=OAglycone:
COc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1C2OC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.54 | Num_heavy_atoms: | 40 |
| TPSA: | 164.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD14319
Formula: C18H16O6
Smiles:
COc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1C2OC(C)=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
