Glycoside
GD135900
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[4-hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexyl]oxy}oxane-3,4,5-triolFormula:
C24H42O12Smiles:
CC(O)C=CC1(O)C(C)CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)CC1(C)CAglycone:
CC(O)C=CC1(O)C(C)CC(O)CC1(C)CSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.59 | Num_heavy_atoms: | 36 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD02668
Formula: C13H24O3
Smiles:
CC(O)C=CC1(O)C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.33 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
