Glycoside
GD153480
Name:
3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enalFormula:
C27H32O12Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD61041
Formula: C21H22O7
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2CO)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
