Glycoside
GD142621
Name:
NoneFormula:
C32H40O18Smiles:
COc1ccc(C2C(C(=O)O)C(C(=O)O)C2c2ccc(OC)cc2OC2OC(CO)C(O)C(O)C2O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1ccc(C2C(C(=O)O)C(C(=O)O)C2c2ccc(OC)cc2O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 12 |
| MolWt: | 712.65 | Num_heavy_atoms: | 50 |
| TPSA: | 291.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD57387
Formula: C20H20O8
Smiles:
COc1ccc(C2C(C(=O)O)C(C(=O)O)C2c2ccc(OC)cc2O)c(O)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
