Glycoside
GD107085
Name:
NoneFormula:
C25H28O9N2SSmiles:
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)N([C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C3=O)cc2)nc1Aglycone:
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 532.57 | Num_heavy_atoms: | 37 |
| TPSA: | 166.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD44274
Formula: C19H20O3N2S
Smiles:
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 356.45 | Num_heavy_atoms: | 25 |
| TPSA: | 68.29 | NumAromaticRings: | 2 |
