Glycoside
GD021687
Name:
NoneFormula:
C26H30O4N5BrSmiles:
Nc1nc(CC[C@@H]2O[C@H](COCc3ccc(Br)cc3)[C@H](O)[C@H]2O)nc(NC2Cc3ccccc3C2)n1Aglycone:
CCc1nc(N)nc(NC2Cc3ccccc3C2)n1.COCc1ccc(Br)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.46 | Num_heavy_atoms: | 36 |
| TPSA: | 135.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD14779
Formula: C14H17N5
Smiles:
CCc1nc(N)nc(NC2Cc3ccccc3C2)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.33 | Num_heavy_atoms: | 19 |
| TPSA: | 76.72 | NumAromaticRings: | 2 |
AD14780
Formula: C8H9OBr
Smiles:
COCc1ccc(Br)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 201.06 | Num_heavy_atoms: | 10 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
