Glycoside
GD155433
Name:
[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-oxo-3-{[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy}prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-3-carboxylateFormula:
C42H42O20Smiles:
O=C(C=Cc1cc(O)c2c(c1)C(C(=O)OCC1OC(Oc3ccc(O)cc3)C(O)C(O)C1O)C(c1ccc(O)c(O)c1)O2)OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1cc(O)c2c(c1)C(C(=O)OC)C(c1ccc(O)c(O)c1)O2.Oc1ccc(O)cc1.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.33 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 866.78 | Num_heavy_atoms: | 62 |
| TPSA: | 321.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD61664
Formula: C20H18O8
Smiles:
COC(=O)C=Cc1cc(O)c2c(c1)C(C(=O)OC)C(c1ccc(O)c(O)c1)O2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 2 |
