Glycoside
GD095762
Name:
NoneFormula:
C18H23O9N3SSmiles:
C#CC[S@@](=O)Cc1cn([C@H]2[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1Aglycone:
C#CCS(=O)CC1=C[N]N=N1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.46 | Num_heavy_atoms: | 31 |
| TPSA: | 156.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD29318
Formula: C6H6ON3S
Smiles:
C#CCS(=O)CC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.2 | Num_heavy_atoms: | 11 |
| TPSA: | 55.89 | NumAromaticRings: | 0 |
