Glycoside
GD108628
Name:
NoneFormula:
C31H32O14Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OSugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 628.58 | Num_heavy_atoms: | 45 |
| TPSA: | 212.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD01552
Formula: C21H18O9
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
