Glycoside
GD100398
Name:
NoneFormula:
C24H31O7N2SSmiles:
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+](Cc2ccccc2)CCO1Aglycone:
O=C(Nc1ccc(S)cc1)C1C[NH+](Cc2ccccc2)CCO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.59 | Num_heavy_atoms: | 34 |
| TPSA: | 132.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD42429
Formula: C18H21O2N2S
Smiles:
O=C(Nc1ccc(S)cc1)C1C[NH+](Cc2ccccc2)CCO1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.45 | Num_heavy_atoms: | 23 |
| TPSA: | 42.77 | NumAromaticRings: | 2 |
