Glycoside
GD064441
Name:
NoneFormula:
C16H22O6N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2CC[C@H](C1)N2c1ccsc1Aglycone:
O=CN1CC2CCC(C1)N2c1ccsc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.43 | Num_heavy_atoms: | 25 |
| TPSA: | 113.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD31009
Formula: C11H14ON2S
Smiles:
O=CN1CC2CCC(C1)N2c1ccsc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.31 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
