Glycoside
GD151460
Name:
5-[4-(2-chlorocyclopropyl)but-1-en-3-yn-1-yl]-1-hydroxy-13-({5-hydroxy-4-[(4-hydroxy-3-methoxy-4,6-dimethyl-5-oxooxan-2-yl)oxy]-3-methoxy-4,6-dimethyloxan-2-yl}oxy)-9-methoxy-2,7,10,12-tetramethyl-4,15-dioxabicyclo[9.3.1]pentadec-7-en-3-oneFormula:
C42H61O14ClSmiles:
COC1C=C(C)CC(C=CC#CC2CC2Cl)OC(=O)C(C)C2(O)CC(OC3OC(C)C(O)C(C)(OC4OC(C)C(=O)C(C)(O)C4OC)C3OC)C(C)C(O2)C1CAglycone:
COC1C(O)OC(C)C(=O)C1(C)O.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(O)C1(C)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 813.38 | Num_heavy_atoms: | 56 |
| TPSA: | 177.9 | 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 |
AD60406
Formula: C8H14O5
Smiles:
COC1C(O)OC(C)C(=O)C1(C)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.19 | Num_heavy_atoms: | 13 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
