Glycoside
GD007786
Name:
REHMAGLUTOSIDE JFormula:
C30H48O18Smiles:
C[C@]1(O)C[C@H](O)[C@@H]2C=CO[C@H](O[C@@H]3O[C@H](CO[C@@H]4C[C@H]5[C@H]([C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)O4)[C@](C)(O)C[C@H]5O)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)CC(O)C2C=COC(O)C21.COC1CC2C(O)CC(C)(O)C2C(O)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -4.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 696.7 | Num_heavy_atoms: | 48 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD05108
Formula: C9H14O4
Smiles:
CC1(O)CC(O)C2C=COC(O)C21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.21 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD06305
Formula: C10H18O5
Smiles:
COC1CC2C(O)CC(C)(O)C2C(O)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.25 | Num_heavy_atoms: | 15 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
