Glycoside
GD023865
Name:
NoneFormula:
C33H32O16Smiles:
CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1Aglycone:
CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 684.6 | Num_heavy_atoms: | 49 |
| TPSA: | 206.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD08684
Formula: C21H16O9
Smiles:
CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2O)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.35 | Num_heavy_atoms: | 30 |
| TPSA: | 129.34 | NumAromaticRings: | 3 |
