Glycoside
GD090560
Name:
NoneFormula:
C18H19O6N5SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1nnc2cnccn12Aglycone:
O=C(Nc1ccc(S)cc1)c1nnc2cnccn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.45 | Num_heavy_atoms: | 30 |
| TPSA: | 162.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD39397
Formula: C12H9ON5S
Smiles:
O=C(Nc1ccc(S)cc1)c1nnc2cnccn12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 271.31 | Num_heavy_atoms: | 19 |
| TPSA: | 72.18 | NumAromaticRings: | 3 |
