Glycoside
GD038973
Name:
4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dioneFormula:
C36H65O12NSmiles:
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@H]1CAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1CSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 703.91 | Num_heavy_atoms: | 49 |
| TPSA: | 184.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD10021
Formula: C29H53O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 559.74 | Num_heavy_atoms: | 39 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
