Glycoside
GD157379
Name:
2-{[2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C21H32O12Smiles:
CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1(O)c1ccc(OC)c(O)c1Aglycone:
COc1ccccc1OSugarmoiety:
CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD16459
Formula: C7H8O2
Smiles:
COc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
