Glycoside
GD134288
Name:
(5-{[3-(2,5-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl)methyl 3-(2,5-dihydroxyphenyl)prop-2-enoateFormula:
C30H28O13Smiles:
O=C(C=Cc1cc(O)ccc1O)OCC1OC(Oc2ccc(O)cc2)C(OC(=O)C=Cc2cc(O)ccc2O)C(O)C1OAglycone:
COC(=O)C=Cc1cc(O)ccc1O.O=C(O)C=Cc1cc(O)ccc1O.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.54 | Num_heavy_atoms: | 43 |
| TPSA: | 212.67 | 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 |
AD49470
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1cc(O)ccc1O| 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 |
AD54332
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1cc(O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
