Glycoside
GD120172
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[4-(2-hydroxyethyl)-2-methoxyphenoxy]oxane-3,4,5-triolFormula:
C20H30O12Smiles:
COc1cc(CCO)ccc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
COc1cc(CCO)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.45 | Num_heavy_atoms: | 32 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD00176
Formula: C9H12O3
Smiles:
COc1cc(CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
