Glycoside
GD102825
Name:
NoneFormula:
C21H25O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1nccnc1OCC1CC1Aglycone:
O=C(Nc1ccc(S)cc1)c1nccnc1OCC1CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 463.51 | Num_heavy_atoms: | 32 |
| TPSA: | 154.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD43525
Formula: C15H15O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1nccnc1OCC1CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 301.37 | Num_heavy_atoms: | 21 |
| TPSA: | 64.11 | NumAromaticRings: | 2 |
