Glycoside
GD069578
Name:
NoneFormula:
C15H18O6N2SSmiles:
Cc1nc2cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(C)cc2s1Aglycone:
Cc1nc2cc(N)c(C)cc2s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.38 | Num_heavy_atoms: | 24 |
| TPSA: | 139.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD32986
Formula: C9H10N2S
Smiles:
Cc1nc2cc(N)c(C)cc2s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.26 | Num_heavy_atoms: | 12 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
