Glycoside
GD128513
Name:
5-[6-(2-chlorocyclopropyl)hexa-1,3-dien-5-yn-1-yl]-13-[(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy]-1-hydroxy-9-methoxy-7,10,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadec-7-en-3-oneFormula:
C35H49O10ClSmiles:
COC1C=C(C)CC(C=CC=CC#CC2CC2Cl)OC(=O)CC2(O)CC(OC3OC(C)C(O)C(C)(O)C3OC)C(C)C(O2)C1CAglycone:
COC1C=C(C)CC(C=CC=CC#CC2CC2Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1CSugarmoiety:
COC1C(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 653.21 | Num_heavy_atoms: | 45 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52055
Formula: C27H35O6Cl
Smiles:
COC1C=C(C)CC(C=CC=CC#CC2CC2Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 479.01 | Num_heavy_atoms: | 33 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
