Glycoside
GD153876
Name:
2,3,4-trihydroxy-5-{[2-hydroxy-22-(2-methoxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}pentanalFormula:
C36H58O9Smiles:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OCC(O)C(O)C(O)C=O)C(C)(C)C5CCC4C1(C)C3OAglycone:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCCC(C)(C)C5CCC4C1(C)C3OSugarmoiety:
O=CC(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61165
Formula: C31H50O4
Smiles:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCCC(C)(C)C5CCC4C1(C)C3O| HBA: | 4 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 6.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
