Glycoside
GD007605
Name:
OMUBIOSIDEFormula:
C26H36O14Smiles:
CC1(C)C=Cc2c(ccc(CCC(=O)O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)O1Aglycone:
CC1(C)C=Cc2c(ccc(CCC(=O)O)c2O)O1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 572.56 | Num_heavy_atoms: | 40 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD06173
Formula: C14H16O4
Smiles:
CC1(C)C=Cc2c(ccc(CCC(=O)O)c2O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
