Glycoside
GD146456
Name:
Sublanceoside L2Formula:
C61H96O26Smiles:
COC1CC(OC2C(C)OC(OC3CC4=CCC5C(=O)OC6COC7(C)OC=C(CCC5C4(C)CC3O)C67)CC2OC)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1Aglycone:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 26 | RingCount: | 11 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 17 |
| MolWt: | 1245.41 | Num_heavy_atoms: | 87 |
| TPSA: | 313.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD44956
Formula: C21H28O6
Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Sugarmoiety
SD05890
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1