Glycoside
GD115052
Name:
N-[6-({5-[6-(2-chloro-2-methylcyclopropyl)hexa-1,3-dien-5-yn-1-yl]-1-hydroxy-9-methoxy-5,7,10,12-tetramethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl}oxy)-4-hydroxy-5-methoxy-2,4,6-trimethyloxan-3-yl]carboximidic acidFormula:
C39H56O10NClSmiles:
COC1C=C(C)CC(C)(C=CC=CC#CC2CC2(C)Cl)OC(=O)CC2(O)CC(OC3(C)OC(C)C(N=CO)C(C)(O)C3OC)C(C)C(O2)C1CAglycone:
COC1C=C(C)CC(C)(C=CC=CC#CC2CC2(C)Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1CSugarmoiety:
COC1C(C)(O)OC(C)C(N=CO)C1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 722.32 | Num_heavy_atoms: | 50 |
| TPSA: | 145.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD45446
Formula: C29H39O6Cl
Smiles:
COC1C=C(C)CC(C)(C=CC=CC#CC2CC2(C)Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 507.07 | Num_heavy_atoms: | 35 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
