Glycoside
GD018889
Name:
3-{2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-1-yl]ethenyl}-2,5-dihydrofuran-2-oneFormula:
C26H38O9Smiles:
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1C=CC1=CCOC1=OAglycone:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C=CC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD13242
Formula: C20H28O4
Smiles:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C=CC1=CCOC1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
