Glycoside
GD004426
Name:
6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dioneFormula:
C30H51O9NSmiles:
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](N(C)C)[C@H]2O)[C@H](C)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(C)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 569.74 | Num_heavy_atoms: | 40 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01067
Formula: C22H36O6
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(C)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.52 | Num_heavy_atoms: | 28 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
