Glycoside
GD128970
Name:
2-(4-{1,3-dihydroxy-2-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]propyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O13Smiles:
COc1cc(C=CCO)ccc1OC(CO)C(O)c1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C=CCO)ccc1OC(CO)C(O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD52238
Formula: C21H26O8
Smiles:
COc1cc(C=CCO)ccc1OC(CO)C(O)c1cc(OC)c(O)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
