Glycoside
GD143823
Name:
1-[3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-oneFormula:
C25H30O11Smiles:
COc1cc(C2Oc3c(OC)cc(C(C)=O)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(OC)cc(C(C)=O)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD57825
Formula: C19H20O6
Smiles:
COc1cc(C2Oc3c(OC)cc(C(C)=O)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
