Glycoside
GD124381
Name:
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-(4-{[5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2,6-dimethoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diolFormula:
C33H46O17Smiles:
COc1cc(C2OCC(Cc3cc(OC)c(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)c(OC)c3)C2CO)cc(OC)c1OAglycone:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 714.71 | Num_heavy_atoms: | 50 |
| TPSA: | 244.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD10896
Formula: C22H28O8
Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
