Glycoside
GD100216
Name:
NoneFormula:
C20H21O7N3S2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1ccc2nccnc2c1Aglycone:
O=S(=O)(Nc1ccc(S)cc1)c1ccc2nccnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 479.54 | Num_heavy_atoms: | 32 |
| TPSA: | 162.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD42351
Formula: C14H11O2N3S2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1ccc2nccnc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.4 | Num_heavy_atoms: | 21 |
| TPSA: | 71.95 | NumAromaticRings: | 3 |
