Glycoside
GD074218
Name:
NoneFormula:
C16H23O6N3SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)N(Cc1cscn1)C2Aglycone:
O=CN1CC2CC(C1)N(Cc1cscn1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 385.44 | Num_heavy_atoms: | 26 |
| TPSA: | 126.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD34306
Formula: C11H15ON3S
Smiles:
O=CN1CC2CC(C1)N(Cc1cscn1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.33 | Num_heavy_atoms: | 16 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
