Glycoside
GD097419
Name:
NoneFormula:
C19H21O7N3S2Smiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cnc2n(c1=O)CCS2Aglycone:
O=C(Nc1ccc(S)cc1)c1cnc2n(c1=O)CCS2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 467.53 | Num_heavy_atoms: | 31 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD41428
Formula: C13H11O2N3S2
Smiles:
O=C(Nc1ccc(S)cc1)c1cnc2n(c1=O)CCS2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.38 | Num_heavy_atoms: | 20 |
| TPSA: | 63.99 | NumAromaticRings: | 2 |
