Glycoside
GD030325
Name:
NoneFormula:
C18H23O5N5SSmiles:
CC(C)(O)C#Cc1ccc(CNC[C@@H]2O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]2O)s1Aglycone:
CNCc1ccc(C#CC(C)(C)O)s1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.48 | Num_heavy_atoms: | 29 |
| TPSA: | 155.75 | 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 |
AD19624
Formula: C11H15ONS
Smiles:
CNCc1ccc(C#CC(C)(C)O)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.31 | Num_heavy_atoms: | 14 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
