Glycoside
GD100663
Name:
NoneFormula:
C19H23O6N5S2Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NS(=O)(=O)c3cc4c(s3)CCCC4)ncnc21Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cc2c(s1)CCCC2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.56 | Num_heavy_atoms: | 32 |
| TPSA: | 148.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42497
Formula: C13H12O2N5S2
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cc2c(s1)CCCC2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.41 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
