Glycoside
GD076445
Name:
NoneFormula:
C14H21O8N3SSmiles:
C[C@@H](C#N)S(=O)(=O)N1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1Aglycone:
CC(C#N)S(=O)(=O)N1CC2(CCN2C=O)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 391.4 | Num_heavy_atoms: | 26 |
| TPSA: | 171.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD35251
Formula: C9H13O3N3S
Smiles:
CC(C#N)S(=O)(=O)N1CC2(CCN2C=O)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 243.29 | Num_heavy_atoms: | 16 |
| TPSA: | 81.48 | NumAromaticRings: | 0 |
