Glycoside
GD087966
Name:
NoneFormula:
C18H26O8N2SSmiles:
O=C(C(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1csc(COCC2CCC3NCCOC23)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 430.48 | Num_heavy_atoms: | 29 |
| TPSA: | 149.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD38554
Formula: C12H18O2N2S
Smiles:
c1csc(COCC2CCC3NCCOC23)n1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.35 | Num_heavy_atoms: | 17 |
| TPSA: | 43.38 | NumAromaticRings: | 1 |
