Glycoside
GD131458
Name:
(3,4,5-trihydroxy-6-{4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C35H38O14Smiles:
COc1cc(C2OCC3C(c4ccc(OC5OC(COC(=O)C=Cc6ccc(O)c(O)c6)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 682.68 | Num_heavy_atoms: | 49 |
| TPSA: | 203.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD02760
Formula: C20H22O6
Smiles:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
