Glycoside
GD070432
Name:
NoneFormula:
C15H16O5N4SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(SCc4ccco4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2SCc2ccco2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.38 | Num_heavy_atoms: | 25 |
| TPSA: | 126.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD33379
Formula: C10H7ON4S
Smiles:
C1=Nc2c(ncnc2SCc2ccco2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.26 | Num_heavy_atoms: | 16 |
| TPSA: | 65.38 | NumAromaticRings: | 2 |
