Glycoside
GD139345
Name:
2-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}oxane-3,4,5-triolFormula:
C18H28O9Smiles:
COc1cc(CCCO)ccc1OC(CO)COC1OCC(O)C(O)C1OAglycone:
COc1cc(CCCO)ccc1OC(CO)COSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 388.41 | Num_heavy_atoms: | 27 |
| TPSA: | 138.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD54001
Formula: C13H20O5
Smiles:
COc1cc(CCCO)ccc1OC(CO)CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 256.3 | Num_heavy_atoms: | 18 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
