Glycoside
GD018994
Name:
6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-16-ethyl-4-hydroxy-7-(2-hydroxyethyl)-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dioneFormula:
C38H65O12NSmiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CCO)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCO)CC(C)C(=O)C=CC(C)=CC1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 727.93 | Num_heavy_atoms: | 51 |
| TPSA: | 184.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD13312
Formula: C23H38O6
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCO)CC(C)C(=O)C=CC(C)=CC1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.55 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
