Glycoside
GD102004
Name:
NoneFormula:
C23H28O8N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccc(OC2CCOCC2)n1Aglycone:
O=C(Nc1ccc(S)cc1)c1cccc(OC2CCOCC2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.55 | Num_heavy_atoms: | 34 |
| TPSA: | 150.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD43189
Formula: C17H18O3N2S
Smiles:
O=C(Nc1ccc(S)cc1)c1cccc(OC2CCOCC2)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.41 | Num_heavy_atoms: | 23 |
| TPSA: | 60.45 | NumAromaticRings: | 2 |
