Glycoside
GD156220
Name:
3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-oneFormula:
C26H28O15Smiles:
O=c1c(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2cccc(O)c2)oc2cc(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD52399
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
