Glycoside
GD150013
Name:
2-(4-{1-hydroxy-2-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O12Smiles:
COc1cc(C(O)C(C)Oc2c(OC)cc(C=CCO)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(O)C(C)Oc2c(OC)cc(C=CCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD59952
Formula: C21H26O7
Smiles:
COc1cc(C(O)C(C)Oc2c(OC)cc(C=CCO)cc2OC)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
