Glycoside
GD123463
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}-3,5-dimethoxyphenyl)ethan-1-oneFormula:
C26H34O13Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD49830
Formula: C20H24O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
