Glycoside
GD104587
Name:
NoneFormula:
C22H24O9N2SSmiles:
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.51 | Num_heavy_atoms: | 34 |
| TPSA: | 179.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD44000
Formula: C16H16O3N2S
Smiles:
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.38 | Num_heavy_atoms: | 22 |
| TPSA: | 83.21 | NumAromaticRings: | 2 |
