Glycoside
GD148179
Name:
5-butoxy-1,5-bis(3,4-dihydroxyphenyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-oneFormula:
C27H36O12Smiles:
CCCCOC(c1ccc(O)c(O)c1)C(CCC(=O)c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCOC(c1ccc(O)c(O)c1)C(O)CCC(=O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD59306
Formula: C21H26O7
Smiles:
CCCCOC(c1ccc(O)c(O)c1)C(O)CCC(=O)c1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
