Glycoside
GD000984
Name:
SARCAGLABOSIDE EFormula:
C26H38O12Smiles:
CC1=CCCC(CO[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)=CCC2=C(C)C(=O)O[C@@H]2C1Aglycone:
CC1=CCCC(CO)=CCC2=C(C)C(=O)OC2C1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD01024
Formula: C15H20O3
Smiles:
CC1=CCCC(CO)=CCC2=C(C)C(=O)OC2C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
