Glycoside
GD098705
Name:
NoneFormula:
C21H27O8N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cc(CN2CCOCC2)on1Aglycone:
O=C(Nc1ccc(S)cc1)c1cc(CN2CCOCC2)on1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.53 | Num_heavy_atoms: | 33 |
| TPSA: | 157.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD41985
Formula: C15H17O3N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cc(CN2CCOCC2)on1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 319.39 | Num_heavy_atoms: | 22 |
| TPSA: | 67.6 | NumAromaticRings: | 2 |
