Glycoside
GD133764
Name:
2-(4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H40O13Smiles:
COc1cc(CCCO)cc(OC)c1OC(CO)Cc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(CC(CO)Oc2c(OC)cc(CCCO)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 15 |
| MolWt: | 584.62 | Num_heavy_atoms: | 41 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD54124
Formula: C22H30O8
Smiles:
COc1cc(CC(CO)Oc2c(OC)cc(CCCO)cc2OC)cc(OC)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 422.47 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
