Glycoside
GD032046
Name:
NoneFormula:
C17H20O5N6SSmiles:
Cc1oc(-c2cccs2)nc1CNC[C@@H]1O[C@H](n2cnc(C(N)=O)n2)[C@H](O)[C@H]1OAglycone:
CNCc1nc(-c2cccs2)oc1C.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.45 | Num_heavy_atoms: | 29 |
| TPSA: | 161.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD12526
Formula: C10H12ON2S
Smiles:
CNCc1nc(-c2cccs2)oc1C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.29 | Num_heavy_atoms: | 14 |
| TPSA: | 38.06 | NumAromaticRings: | 2 |
