Glycoside
GD118366
Name:
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C26H32O13Smiles:
CC(C)(O)CCc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)c(O)c1)O2Aglycone:
CC(C)(O)CCc1c(O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)c(O)c1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD47320
Formula: C20H22O8
Smiles:
CC(C)(O)CCc1c(O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)c(O)c1)O2| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
