Glycoside
GD032079
Name:
NoneFormula:
C28H32O16Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C(C)=C[C@@]2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1Aglycone:
COC(=O)C1=COC(O)C2C1C(C)=CC2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 248.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD20601
Formula: C22H22O11
Smiles:
COC(=O)C1=COC(O)C2C1C(C)=CC2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
