Glycoside
GD003956
Name:
Rotenoid 11Alpha-O-GlucosideFormula:
C25H28O13Smiles:
COc1ccc2c(c1)O[C@@H]1[C@H](OC3OC(CO)C(O)C(O)C3O)Oc3cc(OC)c(OC)cc3[C@@]1(O)C2=OAglycone:
COc1ccc2c(c1)OC1C(O)Oc3cc(OC)c(OC)cc3C1(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD03519
Formula: C19H18O8
Smiles:
COc1ccc2c(c1)OC1C(O)Oc3cc(OC)c(OC)cc3C1(O)C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
