Glycoside
GD102439
Name:
NoneFormula:
C16H17O4N6SBrSmiles:
Cc1nc(Br)ccc1Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1nc(Br)ccc1Nc1[nH]c(=S)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 469.32 | Num_heavy_atoms: | 28 |
| TPSA: | 141.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD43359
Formula: C11H8N6SBr
Smiles:
Cc1nc(Br)ccc1Nc1[nH]c(=S)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.2 | Num_heavy_atoms: | 19 |
| TPSA: | 80.06 | NumAromaticRings: | 2 |
