Glycoside
GD019574
Name:
2-{[1,5-bis(3,4-dimethoxyphenyl)-1-hydroxypent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O11Smiles:
COc1ccc(C#CCC(OC2OC(CO)C(O)C(O)C2O)C(O)c2ccc(OC)c(OC)c2)cc1OCAglycone:
COc1ccc(C#CCC(O)C(O)c2ccc(OC)c(OC)c2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 156.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD13650
Formula: C21H24O6
Smiles:
COc1ccc(C#CCC(O)C(O)c2ccc(OC)c(OC)c2)cc1OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
