Glycoside
GD121379
Name:
4-(acetyloxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)-2-{[7-(2-hydroxyethyl)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}prop-2-enoateFormula:
C32H40O12Smiles:
COc1cc(C=C(CC2c3cc(CCO)ccc3CCC2CO)C(=O)OC2C(O)OC(CO)C(O)C2OC(C)=O)ccc1OAglycone:
COc1cc(C=C(CC2c3cc(CCO)ccc3CCC2CO)C(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 616.66 | Num_heavy_atoms: | 44 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD48853
Formula: C24H28O6
Smiles:
COc1cc(C=C(CC2c3cc(CCO)ccc3CCC2CO)C(=O)O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.48 | Num_heavy_atoms: | 30 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
