Glycoside
GD076157
Name:
NoneFormula:
C12H17O7N5SSmiles:
C[C@@H](C#N)S(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(C#N)S(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 375.36 | Num_heavy_atoms: | 25 |
| TPSA: | 200.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD35184
Formula: C7H8O3N5S
Smiles:
CC(C#N)S(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.24 | Num_heavy_atoms: | 16 |
| TPSA: | 139.51 | NumAromaticRings: | 0 |
