Glycoside
GD155120
Name:
2-{[2,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C31H42O16Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(COC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C2CO)ccc1OAglycone:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2CO)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 670.66 | Num_heavy_atoms: | 47 |
| TPSA: | 257.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD21122
Formula: C20H24O7
Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
