Glycoside
GD158121
Name:
6-(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-oneFormula:
C27H30O15Smiles:
COc1c(C2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD55422
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
