Glycoside
GD000565
Name:
6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dioneFormula:
C38H65O11NSmiles:
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](CC)C[C@H](C)C(=O)C=CC(C)=C[C@@H]1CAglycone:
CCC1CC(C)C(=O)C=CC(C)=CC(C)C(CC)OC(=O)CC(O)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 711.93 | Num_heavy_atoms: | 50 |
| TPSA: | 164.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD00616
Formula: C23H38O5
Smiles:
CCC1CC(C)C(=O)C=CC(C)=CC(C)C(CC)OC(=O)CC(O)C(C)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 394.55 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
