Glycoside
GD019041
Name:
NoneFormula:
C44H42O13N3ClSmiles:
C=C1Oc2cc(OC)cc(C(=O)O[C@@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4C#CC=C3C#CC3=CC=C[C@]34O[C@@H]3OC(C)(C)[C@H](N(C)C)[C@H](O)[C@H]3O)c2NC1=OAglycone:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34O)c2NC1=OSugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 844.27 | Num_heavy_atoms: | 60 |
| TPSA: | 217.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD13340
Formula: C35H25O10N2Cl
Smiles:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34O)c2NC1=O| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 657.03 | Num_heavy_atoms: | 47 |
| TPSA: | 175.87 | NumAromaticRings: | 2 |
