Glycoside
GD147918
Name:
2-({5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-11,13-dien-8-yl}oxy)-4-methoxy-6-methyloxane-3,5-diolFormula:
C28H40O8Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(C=CC4=C5OC6COC7(C)OCC5(CCC43)C67)C2)C1OAglycone:
CC12OCC3OC4=C5C=CC6CC(O)CCC6(C)C5CCC4(CO1)C32Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.62 | Num_heavy_atoms: | 36 |
| TPSA: | 95.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD59217
Formula: C21H28O4
Smiles:
CC12OCC3OC4=C5C=CC6CC(O)CCC6(C)C5CCC4(CO1)C32| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 344.45 | Num_heavy_atoms: | 25 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
