Glycoside
GD088012
Name:
NoneFormula:
C19H26O8N2SSmiles:
O=C(C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=C(NCCc1cccs1)C12CNCC1COC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 442.49 | Num_heavy_atoms: | 30 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD38566
Formula: C13H18O2N2S
Smiles:
O=C(NCCc1cccs1)C12CNCC1COC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.37 | Num_heavy_atoms: | 18 |
| TPSA: | 50.36 | NumAromaticRings: | 1 |
