Glycoside
GD154846
Name:
1-(4-{[1,3-dihydroxy-1-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propan-2-yl]oxy}-3-methoxyphenyl)-3-hydroxypropan-1-oneFormula:
C26H34O13Smiles:
COc1cc(C(=O)CCO)ccc1OC(CO)C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C(O)C(CO)Oc2ccc(C(=O)CCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD61467
Formula: C20H24O8
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C(=O)CCO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
