Glycoside
GD010465
Name:
NoneFormula:
C21H17O5N3SSmiles:
OC[C@@H]1O[C@H](n2c3ncnc(-c4cc5ccccc5o4)c3c3ccsc32)[C@H](O)[C@H]1OAglycone:
c1ccc2oc(-c3ncnc4c3-c3ccsc3[N]4)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 423.45 | Num_heavy_atoms: | 30 |
| TPSA: | 113.77 | NumAromaticRings: | 5 |
Unique Aglycone
AD08076
Formula: C16H8ON3S
Smiles:
c1ccc2oc(-c3ncnc4c3-c3ccsc3[N]4)cc2c1| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.33 | Num_heavy_atoms: | 21 |
| TPSA: | 53.02 | NumAromaticRings: | 4 |
