Glycoside
GD023650
Name:
NoneFormula:
C23H22O13Smiles:
O=C(COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1)OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.42 | Num_heavy_atoms: | 36 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD15886
Formula: C18H14O8
Smiles:
COC(=O)COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.3 | Num_heavy_atoms: | 26 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
