Glycoside
GD121708
Name:
Pseudojujubogenin; 20-Deoxy, 17,20-Didehydro, 3-O-[β-D-Glucopyranosyl-(1->3)-β-D-Glucopyranoside]Formula:
C42H66O13Smiles:
CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3=C1CAglycone:
CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3=C1CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.98 | Num_heavy_atoms: | 55 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD49006
Formula: C30H46O3
Smiles:
CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3=C1C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
