Glycoside
GD133572
Name:
2-(2-hydroxy-4,6-dimethoxyphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C20H30O13Smiles:
COc1cc(O)c(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(O)c(O)c(OC)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 196.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD54055
Formula: C8H10O4
Smiles:
COc1cc(O)c(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
