Glycoside
GD034833
Name:
NoneFormula:
C18H24O5N6SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNC(=O)[C@H](N)CSCc3ccccc3)[C@H](O)[C@H]2O)n1Aglycone:
CNC(=O)C(N)CSCc1ccccc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 436.49 | Num_heavy_atoms: | 30 |
| TPSA: | 178.61 | NumAromaticRings: | 2 |
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 |
AD06411
Formula: C11H16ON2S
Smiles:
CNC(=O)C(N)CSCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.33 | Num_heavy_atoms: | 15 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
