Glycoside
GD135029
Name:
2-{[2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H56O9Smiles:
C=C(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
C=C(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD47721
Formula: C30H46O4
Smiles:
C=C(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
