Glycoside
GD084704
Name:
NoneFormula:
C16H15O4N6ClSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccncc4Cl)[nH]c(=S)nc32)[C@H](O)[C@@H]1OAglycone:
S=c1nc2c(c(Nc3ccncc3Cl)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.84 | Num_heavy_atoms: | 27 |
| TPSA: | 141.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD37862
Formula: C11H6N6ClS
Smiles:
S=c1nc2c(c(Nc3ccncc3Cl)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 277.72 | Num_heavy_atoms: | 18 |
| TPSA: | 80.06 | NumAromaticRings: | 2 |
