Glycoside
GD029123
Name:
NoneFormula:
C18H15O5N4SBrSmiles:
N#Cc1c(N)nc(S[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)c(C#N)c1-c1ccc(Br)cc1Aglycone:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(Br)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 479.31 | Num_heavy_atoms: | 29 |
| TPSA: | 176.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD15991
Formula: C13H7N4SBr
Smiles:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(Br)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 331.2 | Num_heavy_atoms: | 19 |
| TPSA: | 86.49 | NumAromaticRings: | 2 |
