Glycoside
GD013252
Name:
NoneFormula:
C19H17O4N3SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(-c4cc5ccccc5s4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Cc2c(ncnc2-c2cc3ccccc3s2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 383.43 | Num_heavy_atoms: | 27 |
| TPSA: | 100.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD09913
Formula: C14H8N3S
Smiles:
C1=Cc2c(ncnc2-c2cc3ccccc3s2)[N]1| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.31 | Num_heavy_atoms: | 18 |
| TPSA: | 39.88 | NumAromaticRings: | 3 |
