Glycoside
GD013616
Name:
KHAINAOSIDE AFormula:
C25H28O13Smiles:
OC[C@@H]1O[C@H](Oc2cc([C@@H]3OC[C@]4(O)[C@H](c5ccc6c(c5)OCO6)OC[C@]34O)ccc2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2OCC3(O)C(c4ccc5c(c4)OCO5)OCC23O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD10130
Formula: C19H18O8
Smiles:
Oc1ccc(C2OCC3(O)C(c4ccc5c(c4)OCO5)OCC23O)cc1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
