Glycoside
GD019287
Name:
NoneFormula:
C35H41O11NCl2SSmiles:
CC(C)[C@H](CS(=O)(=O)C(C)C)N1C(=O)[C@H](CC(=O)OC2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Aglycone:
CC(C)C(CS(=O)(=O)C(C)C)N1C(=O)C(CC(=O)O)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.66 | Num_heavy_atoms: | 48 |
| TPSA: | 187.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD13486
Formula: C29H33O5NCl2S
Smiles:
CC(C)C(CS(=O)(=O)C(C)C)N1C(=O)C(CC(=O)O)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.54 | Num_heavy_atoms: | 36 |
| TPSA: | 91.75 | NumAromaticRings: | 2 |
