Glycoside
GD092267
Name:
4-hydroxy-6-methyl-3-methylidene-5-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl)-2,3,3a,4,7,7a-hexahydro-1-benzofuran-2-oneFormula:
C21H32O9Smiles:
C=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H]12Aglycone:
C=C1C(=O)OC2CC(C)=C(C(C)CCCO)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD40265
Formula: C15H22O4
Smiles:
C=C1C(=O)OC2CC(C)=C(C(C)CCCO)C(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
