Glycoside
GD117753
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-en-16-oneFormula:
C33H52O9Smiles:
CC(CCC1(O)OC2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.77 | Num_heavy_atoms: | 42 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46989
Formula: C27H42O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
