Glycoside
GD136058
Name:
AjugoseFormula:
C36H62O31Smiles:
OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(OC6(CO)OC(CO)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(OC6(CO)OC(CO)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 6 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -14.1 | Num_rotatable_bonds: | 17 |
| MolWt: | 990.86 | Num_heavy_atoms: | 67 |
| TPSA: | 506.13 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08004
OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(OC6(CO)OC(CO)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O