Glycoside
GD122469
Name:
6-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C27H30O13Smiles:
COc1ccc(-c2coc3ccc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc3c2=O)cc1Aglycone:
COc1ccc(-c2coc3ccc(O)cc3c2=O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD13157
Formula: C16H12O4
Smiles:
COc1ccc(-c2coc3ccc(O)cc3c2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
