Glycoside
GD126064
Name:
(3,4,5-trihydroxy-6-{3-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxyphenoxy}oxan-2-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C34H40O14Smiles:
COc1cc(OC2OC(COC(=O)c3ccc(O)c(OC)c3)C(O)C(O)C2O)cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)c1Aglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(O)cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 672.68 | Num_heavy_atoms: | 48 |
| TPSA: | 203.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD50990
Formula: C20H24O6
Smiles:
COc1cc(O)cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
