Glycoside
GD000136
Name:
NoneFormula:
C21H25O4N10BrSmiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@H]2O)n1Aglycone:
CCn1ncnn1.Nc1nc(NC(CO)Cc2ccc(Br)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 561.4 | Num_heavy_atoms: | 36 |
| TPSA: | 195.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 43.6 | NumAromaticRings: | 1 |
AD00167
Formula: C14H14ON6Br
Smiles:
Nc1nc(NC(CO)Cc2ccc(Br)cc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 362.21 | Num_heavy_atoms: | 22 |
| TPSA: | 110.52 | NumAromaticRings: | 2 |
