Glycoside
GD025750
Name:
NoneFormula:
C37H54O12Smiles:
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)OC)c(O)c1Aglycone:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)OC)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 20 |
| MolWt: | 690.83 | Num_heavy_atoms: | 49 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD17040
Formula: C31H44O7
Smiles:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)OC)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 7.75 | Num_rotatable_bonds: | 17 |
| MolWt: | 528.69 | Num_heavy_atoms: | 38 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
