Glycoside
GD093162
Name:
NoneFormula:
C23H28O5N2ClSmiles:
COc1ccc(CNC(=O)C[C@@H]2O[C@H](C[NH2+]Cc3cccc(Cl)c3)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CNC(C)=O)cc1.C[NH2+]Cc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 435.93 | Num_heavy_atoms: | 30 |
| TPSA: | 104.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD21381
Formula: C10H13O2N
Smiles:
COc1ccc(CNC(C)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD36253
Formula: C9H11NCl
Smiles:
C[NH2+]Cc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.64 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
