Glycoside
GD006803
Name:
NoneFormula:
C21H22O5N2SSmiles:
OC[C@@H]1OC(c2cccc(Cc3nnc(-c4ccccc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(Cc2nnc(-c3ccccc3)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.48 | Num_heavy_atoms: | 29 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD05589
Formula: C15H12N2S
Smiles:
c1ccc(Cc2nnc(-c3ccccc3)s2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.34 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
