Glycoside
GD067460
Name:
NoneFormula:
C14H22O7N2SSmiles:
O=C(CCS)N1CC2(C1)CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2Aglycone:
O=CN1CC2(C1)CN(C(=O)CCS)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.4 | Num_heavy_atoms: | 24 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD32158
Formula: C9H14O2N2S
Smiles:
O=CN1CC2(C1)CN(C(=O)CCS)C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.29 | Num_heavy_atoms: | 14 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
