Glycoside
GD070799
Name:
NoneFormula:
C16H23O3N5SSmiles:
C=CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(C)C)[C@@H](O)[C@H]1OAglycone:
C=CNc1ncnc2c1N=C[N]2.CSCC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 365.46 | Num_heavy_atoms: | 25 |
| TPSA: | 105.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00748
Formula: C5H12S
Smiles:
CSCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.22 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD26990
Formula: C7H6N5
Smiles:
C=CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.16 | Num_heavy_atoms: | 12 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
