Glycoside
GD131431
Name:
5,10,14-trimethyl-15-[1-(4,5,6-trihydroxy-4,5-dimethyloxan-2-yl)ethyl]-3-oxapentacyclo[9.7.0.0²,â´.0âµ,¹â°.0¹â´,¹â¸]octadec-7-en-9-oneFormula:
C29H44O6Smiles:
CC(C1CC(C)(O)C(C)(O)C(O)O1)C1CCC2C3C4OC4C4(C)CC=CC(=O)C4(C)C3CCC12CAglycone:
CCC1CCC2C3C4OC4C4(C)CC=CC(=O)C4(C)C3CCC12CSugarmoiety:
CC1(O)CC(O)OC(O)C1(C)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.67 | Num_heavy_atoms: | 35 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD53249
Formula: C22H32O2
Smiles:
CCC1CCC2C3C4OC4C4(C)CC=CC(=O)C4(C)C3CCC12C| HBA: | 2 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 328.5 | Num_heavy_atoms: | 24 |
| TPSA: | 29.6 | NumAromaticRings: | 0 |
