Glycoside
GD124531
Name:
6-hydroxy-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¸]icos-17-ene-10,16-dioneFormula:
C33H50O10Smiles:
CC(CCC1(O)OC2CC3C4CCC5=CC(=O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5=CC(=O)CCC5(C)C4CC(=O)C3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.75 | Num_heavy_atoms: | 43 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50314
Formula: C27H40O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5=CC(=O)CCC5(C)C4CC(=O)C3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
