Glycoside
GD122079
Name:
2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O13Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD49175
Formula: C21H26O8
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
