Glycoside
GD006413
Name:
1-[3',4,4',6-tetrahydroxy-5'-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-spiro[1-benzofuran-2,2'-oxolan]-7-yl]ethan-1-oneFormula:
C20H26O13Smiles:
CC(=O)c1c(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c2c1O[C@@]1(C2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(=O)c1c(O)cc(O)c2c1OC1(C2)OC(CO)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.42 | Num_heavy_atoms: | 33 |
| TPSA: | 226.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD05316
Formula: C14H16O8
Smiles:
CC(=O)c1c(O)cc(O)c2c1OC1(C2)OC(CO)C(O)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.27 | Num_heavy_atoms: | 22 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
