Glycoside
GD039099
Name:
(2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triolFormula:
C21H22O6Smiles:
OC[C@H]1O[C@H](OCC#Cc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCC#Cc1ccc(-c2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.4 | Num_heavy_atoms: | 27 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD24281
Formula: C15H12O
Smiles:
OCC#Cc1ccc(-c2ccccc2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.26 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
