Glycoside
GD133932
Name:
4,5-dihydroxy-2-[(3,4,5-trihydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-19'-oneoxy}oxan-2-yl)methoxy]oxan-3-yl acetateFormula:
C40H62O14Smiles:
CC(=O)OC1C(OCC2OC(OC3CCC4(C)C(C3)C(=O)CC3C4CCC4(C)C3CC3OC5(CCC(C)CO5)C(C)C34)C(O)C(O)C2O)OCC(O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 766.92 | Num_heavy_atoms: | 54 |
| TPSA: | 199.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD18298
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
