Glycoside
GD019329
Name:
NoneFormula:
C18H24O5N2SSmiles:
CCCc1nnc(Cc2cccc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)s1Aglycone:
CCCc1nnc(Cc2ccccc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.47 | Num_heavy_atoms: | 26 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD13509
Formula: C12H14N2S
Smiles:
CCCc1nnc(Cc2ccccc2)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 218.33 | Num_heavy_atoms: | 15 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
