Glycoside
GD021249
Name:
AQUASTATIN AFormula:
C36H52O12Smiles:
CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1Aglycone:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 20 |
| MolWt: | 676.8 | Num_heavy_atoms: | 48 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD08749
Formula: C30H42O7
Smiles:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 7.66 | Num_rotatable_bonds: | 17 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
