Glycoside
GD134199
Name:
17-hydroxy-8,10,14-trimethyl-7-(2-methylprop-1-en-1-yl)-15-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹â´,¹â¹]henicos-19-en-6-oneFormula:
C39H60O14Smiles:
CC(C)=CC1C(=O)OC2CC3C4CC=C5CC(O)CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1CAglycone:
CC(C)=CC1C(=O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 752.9 | Num_heavy_atoms: | 53 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD54290
Formula: C27H40O4
Smiles:
CC(C)=CC1C(=O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
