Glycoside
GD103475
Name:
NoneFormula:
C24H32O6N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(CC[NH+]2CCCC2)nc1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(CC[NH+]2CCCC2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.6 | Num_heavy_atoms: | 34 |
| TPSA: | 136.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD43818
Formula: C18H22ON3S
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(CC[NH+]2CCCC2)nc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.46 | Num_heavy_atoms: | 23 |
| TPSA: | 46.43 | NumAromaticRings: | 2 |
