Glycoside
GD139411
Name:
methyl 2-(5-hydroxy-4-{2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetateFormula:
C25H36O11Smiles:
COC(=O)Cc1cc(O)c(C=CC2(C)CCC(C(C)(C)O)O2)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)Cc1cc(O)c(C=CC2(C)CCC(C(C)(C)O)O2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 512.55 | Num_heavy_atoms: | 36 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD56213
Formula: C19H26O6
Smiles:
COC(=O)Cc1cc(O)c(C=CC2(C)CCC(C(C)(C)O)O2)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.41 | Num_heavy_atoms: | 25 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
