Glycoside
GD120782
Name:
C-1027 Chromophore IiFormula:
C44H44O13N3ClSmiles:
COc1cc2c(c(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34OC3OC(C)(C)C(N(C)C)C(O)C3O)c1)N=C(O)C(C)O2Aglycone:
COc1cc2c(c(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34O)c1)N=C(O)C(C)O2Sugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 846.29 | Num_heavy_atoms: | 60 |
| TPSA: | 221.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD48561
Formula: C35H27O10N2Cl
Smiles:
COc1cc2c(c(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34O)c1)N=C(O)C(C)O2| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 659.05 | Num_heavy_atoms: | 47 |
| TPSA: | 179.36 | NumAromaticRings: | 2 |
