Glycoside
GD155766
Name:
2-{[5-(3,4-dihydroxyphenyl)-1-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]pent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H28O11Smiles:
OCc1cc(C(O)C(CC#Cc2ccc(O)c(O)c2)OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
OCc1cc(C(O)C(O)CC#Cc2ccc(O)c(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 200.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD61748
Formula: C18H18O6
Smiles:
OCc1cc(C(O)C(O)CC#Cc2ccc(O)c(O)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 121.38 | NumAromaticRings: | 2 |
