Glycoside
GD033635
Name:
NoneFormula:
C26H34O9Smiles:
C=C1C(C)=CC[C@]2(C)c3c(cc(CC(C)O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3O)C(=O)C[C@H]12Aglycone:
C=C1C(C)=CCC2(C)c3c(cc(CC(C)O)c(O)c3O)C(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.55 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD21453
Formula: C20H24O4
Smiles:
C=C1C(C)=CCC2(C)c3c(cc(CC(C)O)c(O)c3O)C(=O)CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.41 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
