Glycoside
GD032834
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,3-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoateFormula:
C26H32O15Smiles:
C[C@@H]1O[C@H](Oc2ccc(O)c(O)c2C(=O)OCc2ccccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(OCc1ccccc1O)c1c(O)ccc(O)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.53 | Num_heavy_atoms: | 41 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD21007
Formula: C14H12O6
Smiles:
O=C(OCc1ccccc1O)c1c(O)ccc(O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
