Glycoside
GD115559
Name:
5-hydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-16'-oloxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl acetateFormula:
C40H64O13Smiles:
CC(=O)OC1COC(OC2CC(O)CC3CCC4C5CC6OC7(CCC(C)CO7)C(C)C6C5(C)CCC4C32C)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
CC(=O)OC1COC(O)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 182.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD08033
Formula: C27H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
