Glycoside
GD014883
Name:
2-(2-{2,4-dihydroxy-6-[(4-hydroxyphenyl)methoxy]phenyl}-2-oxoethoxy)-5-hydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C39H36O14Smiles:
C[C@@H]1O[C@H](OCC(=O)c2c(O)cc(O)cc2OCc2ccc(O)cc2)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H]1OAglycone:
O=C(CO)c1c(O)cc(O)cc1OCc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 13 |
| MolWt: | 728.7 | Num_heavy_atoms: | 53 |
| TPSA: | 218.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD10902
Formula: C15H14O6
Smiles:
O=C(CO)c1c(O)cc(O)cc1OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
