Glycoside
GD136710
Name:
2-{[1,5-bis(3,4-dihydroxyphenyl)-1-hydroxypent-1-en-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H24O11Smiles:
OCC1OC(OC(CC#Cc2ccc(O)c(O)c2)=C(O)c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
OC(CC#Cc1ccc(O)c(O)c1)=C(O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.3 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 200.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD55265
Formula: C17H14O6
Smiles:
OC(CC#Cc1ccc(O)c(O)c1)=C(O)c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 121.38 | NumAromaticRings: | 2 |
