Glycoside
GD140855
Name:
5-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]peroxy}-7-hydroxy-5-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-decahydro-1-benzopyran-1-ium-2-yl)-1,2-dihydroxycyclohexylFormula:
C34H44O21Smiles:
OCC1CC(O[C]2C=C(O)C=C3[OH+]C(c4ccc(O)c(O)c4)=C(OOC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C23)C(O)C(O)C1OAglycone:
OCC1CC(OC2C=C(O)C=C3[OH+]C(c4ccc(O)c(O)c4)=C(OO)C=C32)C(O)C(O)C1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.56 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 788.71 | Num_heavy_atoms: | 55 |
| TPSA: | 351.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD56786
Formula: C22H25O11
Smiles:
OCC1CC(OC2C=C(O)C=C3[OH+]C(c4ccc(O)c(O)c4)=C(OO)C=C32)C(O)C(O)C1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.43 | Num_heavy_atoms: | 33 |
| TPSA: | 193.1 | NumAromaticRings: | 1 |
