Glycoside
GD124734
Name:
Sublanceoside K4Formula:
C55H86O20Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(OC6CC7=CCC8=C9OC%10COC%11(C)OCC9(CCC8C7(C)CC6O)C%10%11)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1OAglycone:
CC12OCC3OC4=C5CC=C6CC(O)C(O)CC6(C)C5CCC4(CO1)C32Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 11 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 14 |
| MolWt: | 1067.27 | Num_heavy_atoms: | 75 |
| TPSA: | 217.6 | 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 |
Sugarmoiety
SD06365
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1O