Glycoside
GD011910
Name:
NoneFormula:
C20H22O6N4SSmiles:
Cc1cnc(CNC(=O)c2ccc3sc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nc3c2)cn1Aglycone:
Cc1cnc(CNC(=O)c2ccc3scnc3c2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 157.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD09027
Formula: C14H12ON4S
Smiles:
Cc1cnc(CNC(=O)c2ccc3scnc3c2)cn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.34 | Num_heavy_atoms: | 20 |
| TPSA: | 67.77 | NumAromaticRings: | 3 |
