Glycoside
GD127179
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C26H30O15Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc(O)c21Aglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00087
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
