Glycoside
GD101788
Name:
NoneFormula:
C19H21O6N5S2Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(C2CC2)cc1Aglycone:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1ccc(C2CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 479.54 | Num_heavy_atoms: | 32 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43102
Formula: C14H12O2N5S2
Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1ccc(C2CC2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.42 | Num_heavy_atoms: | 23 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
