Glycoside
GD106810
Name:
NoneFormula:
C24H22O12Smiles:
O=C(O)c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2Aglycone:
O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.43 | Num_heavy_atoms: | 36 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD44221
Formula: C18H12O7
Smiles:
O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.29 | Num_heavy_atoms: | 25 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
