Glycoside
GD145603
Name:
2-{[3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C32H42O15Smiles:
COc1cc(O)c(CC=C(C)C)c2c1C(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)C(O)C(c1ccc(O)cc1)O2Aglycone:
COc1cc(O)c(CC=C(C)C)c2c1C(O)C(O)C(c1ccc(O)cc1)O2Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 666.67 | Num_heavy_atoms: | 47 |
| TPSA: | 237.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD56454
Formula: C21H24O6
Smiles:
COc1cc(O)c(CC=C(C)C)c2c1C(O)C(O)C(c1ccc(O)cc1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
