Glycoside
GD145582
Name:
2-{[3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H28O11Smiles:
COc1ccc(C2Oc3cc(O)c(C)c(OC4OC(CO)C(O)C(O)C4O)c3CC2O)cc1OAglycone:
COc1ccc(C2Oc3cc(O)c(C)c(O)c3CC2O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD58423
Formula: C17H18O6
Smiles:
COc1ccc(C2Oc3cc(O)c(C)c(O)c3CC2O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
