Glycoside
GD012576
Name:
SINULARIOSIDEFormula:
C30H52O12Smiles:
CCCCCCCCCCCCCCO[C@@H]1OC[C@H](O[C@@H]2OC[C@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](O)[C@H]1OC(C)=OAglycone:
CCCCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(O)OCC(OC2OCC(O)C(OC(C)=O)C2OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 19 |
| MolWt: | 604.73 | Num_heavy_atoms: | 42 |
| TPSA: | 156.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00065
Formula: C14H30O
Smiles:
CCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 12 |
| MolWt: | 214.39 | Num_heavy_atoms: | 15 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
