Glycoside
GD005636
Name:
NoneFormula:
C21H26O4N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Cc2ccccc2)[C@H](O)[C@H]1OAglycone:
CSCCCNC(=O)Cc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.54 | Num_heavy_atoms: | 32 |
| TPSA: | 148.41 | 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 |
AD04759
Formula: C12H17ONS
Smiles:
CSCCCNC(=O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 223.34 | Num_heavy_atoms: | 15 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
