Glycoside
GD150953
Name:
AscosterosideFormula:
C37H58O9Smiles:
C=C(CCC(C)C1CC(O)C2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(OC)C(O)C2O)C(=C)C1CC3)C(C)CAglycone:
C=C(CCC(C)C1CC(O)C2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(=C)C1CC3)C(C)CSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60251
Formula: C30H46O4
Smiles:
C=C(CCC(C)C1CC(O)C2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(=C)C1CC3)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
