Glycoside
GD117648
Name:
15'-hydroxy-5,7',9',13'-tetramethyl-16'-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-11'-yl acetateFormula:
C40H60O13Smiles:
CC(=O)OC1COC(OC2CC3CCC4C5CC6OC7(CCC(C)CO7)C(C)C6C5(C)CC(OC(C)=O)C4C3(C)CC2O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC2(C)C(CC3OC4(CCC(C)CO4)C(C)C32)C2CCC3CC(O)C(O)CC3(C)C12Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 748.91 | Num_heavy_atoms: | 53 |
| TPSA: | 162.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD46939
Formula: C29H46O6
Smiles:
CC(=O)OC1CC2(C)C(CC3OC4(CCC(C)CO4)C(C)C32)C2CCC3CC(O)C(O)CC3(C)C12| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
