Glycoside
GD085363
Name:
2-chloro-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-oneFormula:
C20H21O8ClSmiles:
O=c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(Cl)cc2c2c1CCCC2Aglycone:
O=c1oc2cc(O)c(Cl)cc2c2c1CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.82 | Num_heavy_atoms: | 28 |
| TPSA: | 129.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD38137
Formula: C14H11O3Cl
Smiles:
O=c1oc2cc(O)c(Cl)cc2c2c1CCCC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 250.68 | Num_heavy_atoms: | 17 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
