Glycoside
GD111736
Name:
NoneFormula:
C28H41O4N7BrSmiles:
CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cc(Br)c3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CC(C)[NH+](C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1.Nc1ncnc2c1C(Br)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 619.59 | Num_heavy_atoms: | 40 |
| TPSA: | 151.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD04987
Formula: C6H4N4Br
Smiles:
Nc1ncnc2c1C(Br)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.03 | Num_heavy_atoms: | 11 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD44504
Formula: C18H32ON3
Smiles:
CC(C)[NH+](C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 306.47 | Num_heavy_atoms: | 22 |
| TPSA: | 45.57 | NumAromaticRings: | 1 |
