Glycoside
GD132522
Name:
2-{[1,7-bis(3,4-dihydroxyphenyl)-5-methylheptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H36O10Smiles:
CC(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD53662
Formula: C20H26O5
Smiles:
CC(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
