Glycoside
GD052915
Name:
NoneFormula:
C12H17O7N3SSmiles:
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)[nH]1Aglycone:
CSc1nc(N)c(C=O)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 347.35 | Num_heavy_atoms: | 23 |
| TPSA: | 165.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD25418
Formula: C6H7O2N3S
Smiles:
CSc1nc(N)c(C=O)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.21 | Num_heavy_atoms: | 12 |
| TPSA: | 88.84 | NumAromaticRings: | 1 |
