Glycoside
GD033755
Name:
NoneFormula:
C16H18O5N5ClSSmiles:
CSC[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.86 | Num_heavy_atoms: | 27 |
| TPSA: | 131.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
