Glycoside
GD132314
Name:
Polysciasoside AFormula:
C42H70O13Smiles:
CC(C)=CCCC(C)(O)C1C(O)CC2(C)C1C(=O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1C(O)CC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 783.01 | Num_heavy_atoms: | 55 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD53566
Formula: C30H50O4
Smiles:
CC(C)=CCCC(C)(O)C1C(O)CC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
