Glycoside
GD064438
Name:
NoneFormula:
C15H20O6N2SSmiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)N2c1ccsc1Aglycone:
O=CN1CC2CC(C1)N2c1ccsc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 356.4 | Num_heavy_atoms: | 24 |
| TPSA: | 113.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD31002
Formula: C10H12ON2S
Smiles:
O=CN1CC2CC(C1)N2c1ccsc1| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.29 | Num_heavy_atoms: | 14 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
