Glycoside
GD143992
Name:
2-(4-{1,3-dihydroxy-2-[4-(3-hydroxyprop-1-yn-1-yl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O13Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C#CCO)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C#CCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD57891
Formula: C21H24O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C#CCO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
