Glycoside
GD156400
Name:
Sublanceoside E4Formula:
C41H62O14Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CC5=CCC6=C7OC8COC9(C)OCC7(CCC6C5(C)CC4O)C89)CC3OC)OC2C)OC(C)C1OAglycone:
CC12OCC3OC4=C5CC=C6CC(O)C(O)CC6(C)C5CCC4(CO1)C32Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 162.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50412
Formula: C21H28O5
Smiles:
CC12OCC3OC4=C5CC=C6CC(O)C(O)CC6(C)C5CCC4(CO1)C32| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
