Glycoside
GD102209
Name:
NoneFormula:
C22H28O9N2SSmiles:
CCOC(=O)N(CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)Cc1ccco1Aglycone:
CCOC(=O)N(CC(=O)Nc1ccc(S)cc1)Cc1ccco1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.54 | Num_heavy_atoms: | 34 |
| TPSA: | 161.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD43255
Formula: C16H18O4N2S
Smiles:
CCOC(=O)N(CC(=O)Nc1ccc(S)cc1)Cc1ccco1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.4 | Num_heavy_atoms: | 23 |
| TPSA: | 71.78 | NumAromaticRings: | 2 |
