Glycoside
GD019991
Name:
NoneFormula:
C27H36O9Smiles:
COc1ccc(OC[C@@H]2O[C@H](OC)[C@H](Oc3ccc(OC4CCCCC4)cc3)[C@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(OC)c(OC)c1.Oc1ccc(OC2CCCCC2)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 504.58 | Num_heavy_atoms: | 36 |
| TPSA: | 105.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00645
Formula: C12H16O2
Smiles:
Oc1ccc(OC2CCCCC2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.26 | Num_heavy_atoms: | 14 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD13875
Formula: C9H12O3
Smiles:
COc1ccc(OC)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 27.69 | NumAromaticRings: | 1 |
