Glycoside
GD118928
Name:
21-(2-hydroxypropan-2-yl)-1,3,12,12,13,17-hexamethyl-11-[(3,4,5-trihydroxyoxan-2-yl)oxy]-20,24-dioxaheptacyclo[19.2.1.0²,¹â¹.0³,¹â·.0â¶,â¸.0â¶,¹â¶.0â¸,¹³]tetracosan-18-yl acetateFormula:
C38H60O10Smiles:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5(C)CCC4C12CAglycone:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(C)CCC34CC35CCC(O)C(C)(C)C5(C)CCC4C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 676.89 | Num_heavy_atoms: | 48 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD47592
Formula: C33H52O6
Smiles:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(C)CCC34CC35CCC(O)C(C)(C)C5(C)CCC4C12C| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 544.77 | Num_heavy_atoms: | 39 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
