Glycoside
GD071715
Name:
NoneFormula:
C16H24O6N3SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cncs1Aglycone:
O=CN1CCC2C1CC[NH+]2Cc1cncs1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.45 | Num_heavy_atoms: | 26 |
| TPSA: | 127.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD33682
Formula: C11H16ON3S
Smiles:
O=CN1CCC2C1CC[NH+]2Cc1cncs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.34 | Num_heavy_atoms: | 16 |
| TPSA: | 37.64 | NumAromaticRings: | 1 |
