Glycoside
GD023759
Name:
NoneFormula:
C18H21O6N5SSmiles:
O=[N+]([O-])c1ccc(CSC[C@@H]2OC(n3cnc4c3NC=NC[C@H]4O)[C@H](O)[C@H]2O)cc1Aglycone:
CSCc1ccc([N+](=O)[O-])cc1.OC1CN=CNC2=C1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.46 | Num_heavy_atoms: | 30 |
| TPSA: | 155.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD11244
Formula: C8H9O2NS
Smiles:
CSCc1ccc([N+](=O)[O-])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.14 | NumAromaticRings: | 1 |
AD15850
Formula: C6H7ON4
Smiles:
OC1CN=CNC2=C1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.15 | Num_heavy_atoms: | 11 |
| TPSA: | 71.08 | NumAromaticRings: | 0 |
