Glycoside
GD153684
Name:
4,5-dihydroxy-2-(4-hydroxyphenoxy)-6-({[3-(4-hydroxyphenyl)-3-oxopropanoyl]oxy}methyl)oxan-3-yl 4-hydroxybenzoateFormula:
C28H26O12Smiles:
O=C(CC(=O)c1ccc(O)cc1)OCC1OC(Oc2ccc(O)cc2)C(OC(=O)c2ccc(O)cc2)C(O)C1OAglycone:
COC(=O)CC(=O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.5 | Num_heavy_atoms: | 40 |
| TPSA: | 189.28 | NumAromaticRings: | 3 |
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 |
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD61092
Formula: C10H10O4
Smiles:
COC(=O)CC(=O)c1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
