Glycoside
GD091873
Name:
NoneFormula:
C16H23O6N5S2Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CCCCC1Aglycone:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)C1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.52 | Num_heavy_atoms: | 29 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD40068
Formula: C11H14O2N5S2
Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)C1CCCCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.4 | Num_heavy_atoms: | 20 |
| TPSA: | 101.31 | NumAromaticRings: | 1 |
