Glycoside
GD088047
Name:
NoneFormula:
C19H26O7N2SSmiles:
O=C(C(=O)N1CC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=C(c1ccsc1)N1CCCC2(CCNC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.49 | Num_heavy_atoms: | 29 |
| TPSA: | 138.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD38574
Formula: C13H18ON2S
Smiles:
O=C(c1ccsc1)N1CCCC2(CCNC2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.37 | Num_heavy_atoms: | 17 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
