Glycoside
GD005862
Name:
Rehmannioside BFormula:
C21H32O15Smiles:
OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]4O[C@@]4(CO)[C@H]23)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -5.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.47 | Num_heavy_atoms: | 36 |
| TPSA: | 240.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD04913
Formula: C9H12O5
Smiles:
OCC12OC1C(O)C1C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
