Glycoside
GD029411
Name:
NoneFormula:
C15H19O5N3SSmiles:
OC[C@@H]1O[C@H](SCc2cn(-c3ccccc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
SCc1cn(-c2ccccc2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD19113
Formula: C9H9N3S
Smiles:
SCc1cn(-c2ccccc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.26 | Num_heavy_atoms: | 13 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
