Glycoside
GD151036
Name:
2-{2-[5-hydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C15H26O9Smiles:
OCC1=C(CO)C(CCOC2OC(CO)C(O)C(O)C2O)C(O)C1Aglycone:
OCCC1C(CO)=C(CO)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 350.36 | Num_heavy_atoms: | 24 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD54384
Formula: C9H16O4
Smiles:
OCCC1C(CO)=C(CO)CC1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 188.22 | Num_heavy_atoms: | 13 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
