Glycoside
GD118337
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy}oxane-3,4,5-triolFormula:
C31H42O16Smiles:
COc1cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2COC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 670.66 | Num_heavy_atoms: | 47 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD02551
Formula: C20H24O7
Smiles:
COc1cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
