Glycoside
GD127958
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxybenzoateFormula:
C43H60O29Smiles:
COc1ccc(OC2OC(CO)C(O)C(OC3OCC(O)(CO)C3O)C2O)c(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)c1C(=O)OCc1ccccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1ccc(O)c(O)c1C(=O)OCc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.7 |
| AlogP: | -8.48 | Num_rotatable_bonds: | 18 |
| MolWt: | 1040.92 | Num_heavy_atoms: | 72 |
| TPSA: | 451.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD51834
Formula: C15H14O6
Smiles:
COc1ccc(O)c(O)c1C(=O)OCc1ccccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
Sugarmoiety
SD06856
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O