Glycoside
GD065606
Name:
NoneFormula:
C13H17O7N3SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cnc2n(c1=O)CCS2Aglycone:
NC(=O)c1cnc2n(c1=O)CCS2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.36 | Num_heavy_atoms: | 24 |
| TPSA: | 154.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD31560
Formula: C7H7O2N3S
Smiles:
NC(=O)c1cnc2n(c1=O)CCS2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 197.22 | Num_heavy_atoms: | 13 |
| TPSA: | 77.98 | NumAromaticRings: | 1 |
