Glycoside
GD133016
Name:
7-(4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-1-(4-hydroxyphenyl)heptan-3-oneFormula:
C30H40O12Smiles:
O=C(CCCCc1ccc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc1)CCc1ccc(O)cc1Aglycone:
O=C(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 14 |
| MolWt: | 592.64 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD46392
Formula: C19H22O3
Smiles:
O=C(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 298.38 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
