Glycoside
GD019215
Name:
VERMINOSIDEFormula:
C24H28O13Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C2C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C2[C@]2(CO)O[C@H]12Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C2(CO)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.48 | Num_heavy_atoms: | 37 |
| TPSA: | 208.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD13446
Formula: C18H18O8
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C2(CO)OC12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 128.98 | NumAromaticRings: | 1 |
