Glycoside
GD120610
Name:
2-({10-hydroxy-9-methoxy-1,3-dimethyl-1H,3H,4H-naphtho[2,3-c]pyran-5-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C28H38O14Smiles:
COc1cccc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c3c(c(O)c12)C(C)OC(C)C3Aglycone:
COc1cccc2c(O)c3c(c(O)c12)C(C)OC(C)C3Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.6 | Num_heavy_atoms: | 42 |
| TPSA: | 217.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD48476
Formula: C16H18O4
Smiles:
COc1cccc2c(O)c3c(c(O)c12)C(C)OC(C)C3| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 58.92 | NumAromaticRings: | 2 |
