Glycoside
GD116103
Name:
4,5-bis(acetyloxy)-6-{[6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-11-yl]oxy}oxan-3-yl acetateFormula:
C44H70O17Smiles:
CC(=O)OC1COC(OC2CC3(C)C(CC4OC(O)(CCC(C)COC5OC(CO)C(O)C(O)C5O)C(C)C43)C3CCC4CC(O)CCC4(C)C23)C(OC(C)=O)C1OC(C)=OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4C(O)CC3(C)C2C1CSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 12 |
| MolWt: | 871.03 | Num_heavy_atoms: | 61 |
| TPSA: | 246.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD46052
Formula: C27H46O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4C(O)CC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
