Glycoside
GD019037
Name:
2-{[1,5-bis(3,4-dihydroxyphenyl)-1-methoxypent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H28O11Smiles:
CO[C@H](c1ccc(O)c(O)c1)[C@H](CC#Cc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(c1ccc(O)c(O)c1)C(O)CC#Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 189.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD13338
Formula: C18H18O6
Smiles:
COC(c1ccc(O)c(O)c1)C(O)CC#Cc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
