Glycoside
GD151393
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C26H32O15Smiles:
O=C(OCc1ccccc1OC1OC(CO)C(O)C(O)C1O)c1cc(O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(OCc1ccccc1O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(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: | -2.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.53 | Num_heavy_atoms: | 41 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD60383
Formula: C14H12O5
Smiles:
O=C(OCc1ccccc1O)c1cc(O)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
