Glycoside
GD062620
Name:
NoneFormula:
C15H17O6N3SSmiles:
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)nc1SCc1ccccc1Aglycone:
O=c1[nH]nc(SCc2ccccc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.38 | Num_heavy_atoms: | 25 |
| TPSA: | 137.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD30348
Formula: C10H9O2N3S
Smiles:
O=c1[nH]nc(SCc2ccccc2)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.27 | Num_heavy_atoms: | 16 |
| TPSA: | 78.61 | NumAromaticRings: | 2 |
