Glycoside
GD114831
Name:
8-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-9,11,13-trien-7-olFormula:
C28H38O8Smiles:
COC1CC(OC2C=C3C=CC4=C5OC6COC7(C)OCC5(CCC4C3(C)CC2O)C67)OC(C)C1OAglycone:
CC12OCC3OC4=C5C=CC6=CC(O)C(O)CC6(C)C5CCC4(CO1)C32Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.6 | Num_heavy_atoms: | 36 |
| TPSA: | 95.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45314
Formula: C21H26O5
Smiles:
CC12OCC3OC4=C5C=CC6=CC(O)C(O)CC6(C)C5CCC4(CO1)C32| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 358.43 | Num_heavy_atoms: | 26 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
