Glycoside
GD133575
Name:
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]oxane-3,4,5-triolFormula:
C21H30O12Smiles:
COc1cc(C=CCO)ccc1OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(C=CCO)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD05908
Formula: C10H12O3
Smiles:
COc1cc(C=CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
