Glycoside
GD029402
Name:
NoneFormula:
C19H17O4N5S3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COc2ccc(-c3cc(=S)ss3)cc2)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2cc(=S)ss2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.58 | Num_heavy_atoms: | 31 |
| TPSA: | 128.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19128
Formula: C10H8OS3
Smiles:
COc1ccc(-c2cc(=S)ss2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.37 | Num_heavy_atoms: | 14 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
