Glycoside
GD006544
Name:
Saundersioside BFormula:
C48H68O16Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6[C@@H]7C[C@@H]8O[C@H](O)[C@H](C=C(C)C)[C@]9(C)O[C@H](OC)C7(CC[C@H]65)[C@H]89)C4)O[C@@H](CO)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
COC1OC2(C)C(C=C(C)C)C(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC14C32.COc1ccc(C(=O)O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 901.06 | Num_heavy_atoms: | 64 |
| TPSA: | 221.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD01329
Formula: C8H8O3
Smiles:
COc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD05406
Formula: C28H42O5
Smiles:
COC1OC2(C)C(C=C(C)C)C(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC14C32| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
