Glycoside
GD117889
Name:
5,7',9',13',18'-pentamethyl-19'-[(3,4,5-trihydroxyoxan-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(OC5OCC(O)C(O)C5O)C5(C)CC(=O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(C)CC(=O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 576.77 | Num_heavy_atoms: | 41 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47068
Formula: C28H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(C)CC(=O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
