Glycoside
GD016196
Name:
MEZZETTIASIDE 8Formula:
C38H64O17Smiles:
CCCCCCCCO[C@@H]1O[C@H](C)[C@H](OC(=O)CCCCC)[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](O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)[C@H]1OAglycone:
CCCCCC(=O)O.CCCCCCCCOSugarmoiety:
CC(=O)OC1C(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(C)OC(O)C3O)C2OC(C)=O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 20 |
| MolWt: | 792.91 | Num_heavy_atoms: | 55 |
| TPSA: | 221.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD00130
Formula: C6H12O2
Smiles:
CCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
