Glycoside
GD100902
Name:
NoneFormula:
C23H29O7N3SSmiles:
Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3cc(N[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)cnc32)cc1Aglycone:
Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3cc(N)cnc32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.57 | Num_heavy_atoms: | 34 |
| TPSA: | 154.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD42635
Formula: C17H19O2N3S
Smiles:
Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3cc(N)cnc32)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.43 | Num_heavy_atoms: | 23 |
| TPSA: | 77.98 | NumAromaticRings: | 3 |
