Glycoside
GD118741
Name:
2-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyphenyl)-6-hydroxy-7-methoxy-4-oxo-4H-chromen-5-yl 3-phenylprop-2-enoateFormula:
C37H38O18Smiles:
COc1cc2oc(-c3ccc(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(O)c3)cc(=O)c2c(OC(=O)C=Cc2ccccc2)c1OAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(OC(=O)C=Cc2ccccc2)c1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 770.69 | Num_heavy_atoms: | 55 |
| TPSA: | 284.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD47506
Formula: C25H18O8
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(OC(=O)C=Cc2ccccc2)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.04 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.41 | Num_heavy_atoms: | 33 |
| TPSA: | 126.43 | NumAromaticRings: | 4 |
