Glycoside
GD126929
Name:
jujubogenin; 3-o-[β-d-glucopyranosyl-(1->3)-[α-l-arabinopyranosyl-(1->2)]-β-d-glucopyranoside], 20-o-α-l-arabinopyranosideFormula:
C52H84O22Smiles:
CC(C)=CC1CC(C)(OC2OCC(O)C(O)C2O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1Aglycone:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 1061.22 | Num_heavy_atoms: | 74 |
| TPSA: | 335.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD04367
Formula: C30H48O4
Smiles:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
