Glycoside
GD120171
Name:
3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-17-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4,7-dioxapentacyclo[11.8.0.0²,¹â°.0âµ,â¹.0¹â´,¹â¹]henicosan-8-oneFormula:
C42H68O14Smiles:
CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12CAglycone:
CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD48239
Formula: C30H48O5
Smiles:
CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
