Glycoside
GD137802
Name:
N-[6-({5-[4-(2-chlorocyclopropyl)but-1-en-3-yn-1-yl]-1-hydroxy-9-methoxy-2,7,10,12-tetramethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl}oxy)-4-hydroxy-5-methoxy-2,4-dimethyloxan-3-yl]formamideFormula:
C35H50O10NClSmiles:
COC1C=C(C)CC(C=CC#CC2CC2Cl)OC(=O)C(C)C2(O)CC(OC3OC(C)C(N=CO)C(C)(O)C3OC)C(C)C(O2)C1CAglycone:
COC1C=C(C)CC(C=CC#CC2CC2Cl)OC(=O)C(C)C2(O)CC(O)C(C)C(O2)C1CSugarmoiety:
COC1C(O)OC(C)C(N=CO)C1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 668.22 | Num_heavy_atoms: | 46 |
| TPSA: | 145.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD52689
Formula: C26H35O6Cl
Smiles:
COC1C=C(C)CC(C=CC#CC2CC2Cl)OC(=O)C(C)C2(O)CC(O)C(C)C(O2)C1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 467.0 | Num_heavy_atoms: | 32 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
