Glycoside
GD007722
Name:
SENNOSIDE A,BFormula:
C42H38O20Smiles:
O=C(O)c1cc(O)c2c(c1)C([C@@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1C2=OAglycone:
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.33 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 862.75 | Num_heavy_atoms: | 62 |
| TPSA: | 347.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD02822
Formula: C30H18O10
Smiles:
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 538.46 | Num_heavy_atoms: | 40 |
| TPSA: | 189.66 | NumAromaticRings: | 4 |
