Glycoside
GD126633
Name:
4-ethyl-6-{18-methyl-17-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]icosyl}oxan-2-oneFormula:
C40H74O12Smiles:
CCC1CC(=O)OC(CCCCCCCCCCCCCCCCC(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(C)CC)C1Aglycone:
CCC1CC(=O)OC(CCCCCCCCCCCCCCCCC(O)C(C)CC)C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 25 |
| MolWt: | 747.02 | Num_heavy_atoms: | 52 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51254
Formula: C28H54O3
Smiles:
CCC1CC(=O)OC(CCCCCCCCCCCCCCCCC(O)C(C)CC)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 8.37 | Num_rotatable_bonds: | 20 |
| MolWt: | 438.74 | Num_heavy_atoms: | 31 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
