Glycoside
GD103094
Name:
NoneFormula:
C22H22O7N4SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cnc(Oc2cccnc2)nc1Aglycone:
O=C(Nc1ccc(S)cc1)c1cnc(Oc2cccnc2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.51 | Num_heavy_atoms: | 34 |
| TPSA: | 167.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD43619
Formula: C16H12O2N4S
Smiles:
O=C(Nc1ccc(S)cc1)c1cnc(Oc2cccnc2)nc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.37 | Num_heavy_atoms: | 23 |
| TPSA: | 77.0 | NumAromaticRings: | 3 |
