Glycoside
GD013615
Name:
NoneFormula:
C44H42O12N3ClSmiles:
C=C1Oc2cc(OC)cc(C(=O)O[C@@H]3COC(=O)C[C@H](N)c4ccc(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)c4ccc(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: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 828.27 | Num_heavy_atoms: | 59 |
| TPSA: | 197.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD10129
Formula: C35H25O9N2Cl
Smiles:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4ccc(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34O)c2NC1=O| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 641.03 | Num_heavy_atoms: | 46 |
| TPSA: | 155.64 | NumAromaticRings: | 2 |
