Glycoside
GD020475
Name:
NoneFormula:
C18H16O7N3Cl2BrSmiles:
N[C@H](CC(=O)O)C(=O)OC[C@@H]1OC(n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
COC(=O)C(N)CC(=O)O.Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 513.13 | Num_heavy_atoms: | 29 |
| TPSA: | 157.13 | 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 |
AD14133
Formula: C5H9O4N
Smiles:
COC(=O)C(N)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.13 | Num_heavy_atoms: | 10 |
| TPSA: | 89.62 | NumAromaticRings: | 0 |
