Glycoside
GD103101
Name:
NoneFormula:
C22H27O8N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cnc(OC2CCOCC2)nc1Aglycone:
O=C(Nc1ccc(S)cc1)c1cnc(OC2CCOCC2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.54 | Num_heavy_atoms: | 34 |
| TPSA: | 163.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD43622
Formula: C16H17O3N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cnc(OC2CCOCC2)nc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.4 | Num_heavy_atoms: | 23 |
| TPSA: | 73.34 | NumAromaticRings: | 2 |
