Glycoside
GD086190
Name:
NoneFormula:
C21H24O4N2SSmiles:
Cc1cc2nc(SCc3ccccc3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1CAglycone:
Cc1cc2c(cc1C)N=C(SCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.5 | Num_heavy_atoms: | 28 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD38271
Formula: C16H15N2S
Smiles:
Cc1cc2c(cc1C)N=C(SCc1ccccc1)[N]2| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.38 | Num_heavy_atoms: | 19 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
