Glycoside
GD130836
Name:
6-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-oneFormula:
C26H36O14Smiles:
COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 572.56 | Num_heavy_atoms: | 40 |
| TPSA: | 217.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD53012
Formula: C15H18O5
Smiles:
COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
