Glycoside
GD124298
Name:
2-{3,5-dihydroxy-2-[3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-6-(3-methylbut-2-en-1-yl)phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H48O18Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)cc2c1C(c1c(O)cc(O)c(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1O)C(O)C(c1ccc(O)cc1)O2Aglycone:
COc1cc(O)cc2c1C(c1c(O)cc(O)c(CC=C(C)C)c1O)C(O)C(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.49 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 804.8 | Num_heavy_atoms: | 57 |
| TPSA: | 298.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD50206
Formula: C27H28O8
Smiles:
COc1cc(O)cc2c1C(c1c(O)cc(O)c(CC=C(C)C)c1O)C(O)C(c1ccc(O)cc1)O2| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.51 | Num_heavy_atoms: | 35 |
| TPSA: | 139.84 | NumAromaticRings: | 3 |
