Glycoside
GD075796
Name:
NoneFormula:
C16H23O7N2SSmiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)C[NH+](C[C@H]1OC=CC1=S)C2Aglycone:
O=CN1CC2(C1)C[NH+](CC1OC=CC1=S)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -4.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 387.43 | Num_heavy_atoms: | 26 |
| TPSA: | 124.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD35102
Formula: C11H15O2N2S
Smiles:
O=CN1CC2(C1)C[NH+](CC1OC=CC1=S)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 239.32 | Num_heavy_atoms: | 16 |
| TPSA: | 33.98 | NumAromaticRings: | 0 |
