Glycoside
GD019465
Name:
NoneFormula:
C18H20O6N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)C=Cc2ccccc2O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)C=Cc1ccccc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.46 | Num_heavy_atoms: | 31 |
| TPSA: | 185.71 | 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 |
AD13586
Formula: C9H11O3NS
Smiles:
CNS(=O)(=O)C=Cc1ccccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.26 | Num_heavy_atoms: | 14 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
