Glycoside
GD117494
Name:
limocininFormula:
C34H44O6Smiles:
COC1CC(O)(C2CC=C3C2(C)CCC2C4(C)C=CC(=O)C(C)(C)C4CC(OC(=O)c4ccccc4)C32C)CO1Aglycone:
CC12CCC=C1C1(C)C(OC(=O)c3ccccc3)CC3C(C)(C)C(=O)C=CC3(C)C1CC2Sugarmoiety:
COC1CC(O)(O)CO1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.72 | Num_heavy_atoms: | 40 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD46851
Formula: C29H36O3
Smiles:
CC12CCC=C1C1(C)C(OC(=O)c3ccccc3)CC3C(C)(C)C(=O)C=CC3(C)C1CC2| HBA: | 3 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.6 | Num_heavy_atoms: | 32 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
