Glycoside
GD070698
Name:
NoneFormula:
C18H19O4N3SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1OAglycone:
C1=Cc2c(ncnc2SCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.43 | Num_heavy_atoms: | 26 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD08353
Formula: C13H10N3S
Smiles:
C1=Cc2c(ncnc2SCc2ccccc2)[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.31 | Num_heavy_atoms: | 17 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
