Glycoside
GD135963
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4H-chromen-4-oneFormula:
C21H20O12Smiles:
O=c1c(OC2(CO)OC(O)(CO)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1(O)OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 210.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)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 |
