Glycoside
GD155832
Name:
2-[3-hydroxy-5-(6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H30O14Smiles:
OCC1OC(Oc2cc(O)cc(-c3cc4ccc(OC5OC(CO)C(O)C(O)C5O)cc4o3)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 232.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD51444
Formula: C14H10O4
Smiles:
Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 18 |
| TPSA: | 73.83 | NumAromaticRings: | 3 |
