Glycoside
GD140161
Name:
2-[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-methoxyphenyl)propoxy]-6-methyloxane-3,4,5-triolFormula:
C26H36O12Smiles:
COc1cc(C(O)C(CO)Oc2c(O)cc(CCCOC3OC(C)C(O)C(O)C3O)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(O)cc(CCCO)cc2OC)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD56510
Formula: C20H26O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(O)cc(CCCO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 394.42 | Num_heavy_atoms: | 28 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
