Glycoside
GD143107
Name:
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-{3,4,5-trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}-4H-chromen-4-oneFormula:
C31H36O15Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2C2OC(OC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.61 | Num_heavy_atoms: | 46 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD48304
Formula: C21H20O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
