Glycoside
GD145980
Name:
2-{[1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H36O11Smiles:
COc1ccc(C#CCC(OC2OC(CO)C(O)C(O)C2O)C(OC)c2ccc(OC)c(OC)c2)cc1OCAglycone:
COc1ccc(C#CCC(O)C(OC)c2ccc(OC)c(OC)c2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 548.59 | Num_heavy_atoms: | 39 |
| TPSA: | 145.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD58565
Formula: C22H26O6
Smiles:
COc1ccc(C#CCC(O)C(OC)c2ccc(OC)c(OC)c2)cc1OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 386.44 | Num_heavy_atoms: | 28 |
| TPSA: | 66.38 | NumAromaticRings: | 2 |
