Glycoside
GD100642
Name:
NoneFormula:
C18H19O7N5S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4ccccc4C(=O)O)ncnc32)[C@H](O)[C@@H]1OAglycone:
O=C(O)c1ccccc1S(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.51 | Num_heavy_atoms: | 32 |
| TPSA: | 176.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD42484
Formula: C12H8O4N5S
Smiles:
O=C(O)c1ccccc1S(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.29 | Num_heavy_atoms: | 22 |
| TPSA: | 135.71 | NumAromaticRings: | 2 |
