Glycoside
GD030204
Name:
NoneFormula:
C23H31O3N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@H](O)[C@H]1OAglycone:
CSCCCNCC1Cc2ccccc2CN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 485.61 | Num_heavy_atoms: | 34 |
| 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 |
AD19556
Formula: C14H22N2S
Smiles:
CSCCCNCC1Cc2ccccc2CN1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 250.41 | Num_heavy_atoms: | 17 |
| TPSA: | 24.06 | NumAromaticRings: | 1 |
