Glycoside
GD146131
Name:
5,7',9',13'-tetramethyl-19'-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-16'-oneFormula:
C33H52O8Smiles:
CC1CCC2(OC1)OC1CC3C4CC(OC5OC(C)C(O)C(O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(=O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 576.77 | Num_heavy_atoms: | 41 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD19329
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 |
