Glycoside
GD007787
Name:
REHMAGLUTOSIDE DFormula:
C23H31O11NSmiles:
C[C@]1(O)C[C@H](OC(=O)CCc2cc(O)ccn2)[C@@H]2C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)CC(OC(=O)CCc2cc(O)ccn2)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.5 | Num_heavy_atoms: | 35 |
| TPSA: | 188.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD06306
Formula: C17H21O6N
Smiles:
CC1(O)CC(OC(=O)CCc2cc(O)ccn2)C2C=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 109.11 | NumAromaticRings: | 1 |
