Glycoside
GD116492
Name:
1,5-bis(3,4-dihydroxyphenyl)-5-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-oneFormula:
C24H30O12Smiles:
COC(c1ccc(O)c(O)c1)C(CCC(=O)c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(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: | 0.46 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD46266
Formula: C18H20O7
Smiles:
COC(c1ccc(O)c(O)c1)C(O)CCC(=O)c1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
