Glycoside
GD013628
Name:
NoneFormula:
C20H22O5N3Cl2BrSmiles:
CCC(C)[C@H](N)C(=O)OC[C@@H]1O[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)OC.Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 511.2 | Num_heavy_atoms: | 29 |
| TPSA: | 119.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD01427
Formula: C9H2N2Cl2Br
Smiles:
Clc1cc2c(cc1Cl)N=C(Br)[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.92 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
AD10135
Formula: C7H15O2N
Smiles:
CCC(C)C(N)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
