Glycoside
GD084978
Name:
NoneFormula:
C20H29O6N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@H]1C[N@H+]2CC[C@@H]1CC2Aglycone:
O=C(Nc1ccc(S)cc1)C1C[NH+]2CCC1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.53 | Num_heavy_atoms: | 29 |
| TPSA: | 123.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD38033
Formula: C14H19ON2S
Smiles:
O=C(Nc1ccc(S)cc1)C1C[NH+]2CCC1CC2| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.39 | Num_heavy_atoms: | 18 |
| TPSA: | 33.54 | NumAromaticRings: | 1 |
