Glycoside
GD135201
Name:
14'-({5-hydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-16'-yl acetateFormula:
C46H72O17Smiles:
CC(=O)OC1CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C2(C)C(OC2OC(C)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)C1Aglycone:
CC(=O)OC1CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C2(C)C(O)C1Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 897.07 | Num_heavy_atoms: | 63 |
| TPSA: | 241.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54675
Formula: C29H44O5
Smiles:
CC(=O)OC1CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C2(C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
