Glycoside
GD102342
Name:
NoneFormula:
C22H26O7N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cccn(CC2CC2)c1=OAglycone:
O=C(Nc1ccc(S)cc1)c1cccn(CC2CC2)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.52 | Num_heavy_atoms: | 32 |
| TPSA: | 141.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD43312
Formula: C16H16O2N2S
Smiles:
O=C(Nc1ccc(S)cc1)c1cccn(CC2CC2)c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.38 | Num_heavy_atoms: | 21 |
| TPSA: | 51.1 | NumAromaticRings: | 2 |
