Glycoside
GD106187
Name:
NoneFormula:
C19H19O6N8BrSmiles:
CN(/N=C1\C(=O)Nc2ccc(Br)cc21)c1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CN(N=C1C(=O)Nc2ccc(Br)cc21)C1=Nc2c(nc(N)[nH]c2=O)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 535.32 | Num_heavy_atoms: | 34 |
| TPSA: | 204.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD44123
Formula: C14H10O2N8Br
Smiles:
CN(N=C1C(=O)Nc2ccc(Br)cc21)C1=Nc2c(nc(N)[nH]c2=O)[N]1| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.19 | Num_heavy_atoms: | 25 |
| TPSA: | 142.93 | NumAromaticRings: | 2 |
