Glycoside
GD156115
Name:
2-(2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-5-(3-hydroxyprop-1-en-1-yl)-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O13Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(O)cc(C=CCO)cc2OC)ccc1OSugarmoiety:
CO.OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD61854
Formula: C20H24O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(O)cc(C=CCO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
