Glycoside
GD071508
Name:
NoneFormula:
C17H24O6N2SSmiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC[C@H]2[C@@H]1CCN2Cc1ccsc1Aglycone:
O=CN1CCC2C1CCN2Cc1ccsc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.45 | Num_heavy_atoms: | 26 |
| TPSA: | 113.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD33607
Formula: C12H16ON2S
Smiles:
O=CN1CCC2C1CCN2Cc1ccsc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.34 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
