Glycoside
GD131206
Name:
8-({3-methyl-2-[(1,2,3,4,5-pentahydroxy-4,6-dimethyloct-6-en-1-ylidene)amino]butanoyl}oxy)-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acidFormula:
C26H39O10NSmiles:
CC=C(C)C(O)C(C)(O)C(O)C(O)C(O)=NC(C(=O)OC(C=CC=CC=CC(=O)O)C1(C)CO1)C(C)CAglycone:
CC(C)C(N)C(=O)OC(C=CC=CC=CC(=O)O)C1(C)CO1Sugarmoiety:
CC=C(C)C(O)C(C)(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 525.6 | Num_heavy_atoms: | 37 |
| TPSA: | 189.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD52197
Formula: C16H23O5N
Smiles:
CC(C)C(N)C(=O)OC(C=CC=CC=CC(=O)O)C1(C)CO1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 309.36 | Num_heavy_atoms: | 22 |
| TPSA: | 102.15 | NumAromaticRings: | 0 |
