Glycoside
GD002144
Name:
NoneFormula:
C26H27O10N3SSmiles:
COc1ccc2nc(COc3ccc(CC4SC(=O)N([C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O)C4=O)cc3)n(C)c2c1Aglycone:
COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 573.58 | Num_heavy_atoms: | 40 |
| TPSA: | 180.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD02078
Formula: C20H19O4N3S
Smiles:
COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 397.46 | Num_heavy_atoms: | 28 |
| TPSA: | 82.45 | NumAromaticRings: | 3 |
