Glycoside
GD037270
Name:
NoneFormula:
C22H29O3N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2CNCc3ccccc32)[C@H](O)[C@H]1OAglycone:
CSCCNCC1CNCc2ccccc21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 471.59 | Num_heavy_atoms: | 33 |
| TPSA: | 143.37 | NumAromaticRings: | 3 |
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 |
AD23489
Formula: C13H20N2S
Smiles:
CSCCNCC1CNCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 236.38 | Num_heavy_atoms: | 16 |
| TPSA: | 24.06 | NumAromaticRings: | 1 |
