Glycoside
GD021984
Name:
NoneFormula:
C21H24O3N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCc2c[nH]c3ccccc23)[C@H](O)[C@H]1OAglycone:
CSCCCc1c[nH]c2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 135.1 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14957
Formula: C12H15NS
Smiles:
CSCCCc1c[nH]c2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.33 | Num_heavy_atoms: | 14 |
| TPSA: | 15.79 | NumAromaticRings: | 2 |
