Glycoside
GD128870
Name:
8-({3-methyl-2-[(1,2,3,4-tetrahydroxy-4,6-dimethyloct-6-en-1-ylidene)amino]butanoyl}oxy)-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acidFormula:
C26H39O9NSmiles:
CC=C(C)CC(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)CO1.CC=C(C)CSugarmoiety:
CC(O)(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 509.6 | Num_heavy_atoms: | 36 |
| TPSA: | 169.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD11199
Formula: C5H10
Smiles:
CC=C(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 70.13 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
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 |
