Glycoside
GD133555
Name:
3-hydroxy-2-(7-hydroxy-2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C22H20O12Smiles:
O=c1c(O)c(-c2cc(O)c3c(c2)OCO3)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12Aglycone:
O=c1c(O)c(-c2cc(O)c3c(c2)OCO3)oc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.39 | Num_heavy_atoms: | 34 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD54046
Formula: C16H10O7
Smiles:
O=c1c(O)c(-c2cc(O)c3c(c2)OCO3)oc2cc(O)ccc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
