Glycoside
GD016270
Name:
Cleistrioside 6Formula:
C36H62O16Smiles:
CCCCCCCCCCCCO[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 19 |
| MolWt: | 750.88 | Num_heavy_atoms: | 52 |
| TPSA: | 215.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00833
Formula: C12H26O
Smiles:
CCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 186.34 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
