Glycoside
GD131888
Name:
2-({3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,â¶]dodecan-12-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O8Smiles:
CC1CC(O)C2C1CC1C(OC3OC(CO)C(O)C(O)C3O)CC2(C)OC1(C)CAglycone:
CC1CC(O)C2C1CC1C(O)CC2(C)OC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD53409
Formula: C15H26O3
Smiles:
CC1CC(O)C2C1CC1C(O)CC2(C)OC1(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
