Glycoside
GD126754
Name:
2-{[2,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}oxane-3,4,5-triolFormula:
C25H32O11Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(COC3OCC(O)C(O)C3O)C2CO)ccc1OAglycone:
COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2CO)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 178.53 | 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 |
