Glycoside
GD025799
Name:
NoneFormula:
C35H53O13NSSmiles:
CC(=Cc1csc(C)n1)[C@@H]1C[C@@H]2O[C@@]2(C)CCC[C@H](C)[C@H](OC(=O)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1Aglycone:
CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(OC(=O)CO)C(C)C(=O)C(C)(C)C(O)CC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 727.87 | Num_heavy_atoms: | 50 |
| TPSA: | 214.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD17072
Formula: C29H43O8NS
Smiles:
CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(OC(=O)CO)C(C)C(=O)C(C)(C)C(O)CC(=O)O1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 565.73 | Num_heavy_atoms: | 39 |
| TPSA: | 135.55 | NumAromaticRings: | 1 |
