Glycoside
GD123446
Name:
2-(4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H36O11Smiles:
COc1cc(CCCO)ccc1OC(CO)Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(CC(CO)Oc2ccc(CCCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD22652
Formula: C20H26O6
Smiles:
COc1cc(CC(CO)Oc2ccc(CCCO)cc2OC)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
