Glycoside
GD100658
Name:
NoneFormula:
C19H20O6N6S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5)ncnc32)[C@H](O)[C@@H]1OAglycone:
O=C1Cc2cc(S(=O)(=O)Nc3ncnc4c3N=C[N]4)ccc2N1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.54 | Num_heavy_atoms: | 33 |
| TPSA: | 168.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD42494
Formula: C13H9O3N6S
Smiles:
O=C1Cc2cc(S(=O)(=O)Nc3ncnc4c3N=C[N]4)ccc2N1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.32 | Num_heavy_atoms: | 23 |
| TPSA: | 127.51 | NumAromaticRings: | 2 |
