Glycoside
GD012985
Name:
NoneFormula:
C22H18O12Smiles:
O=C(O)[C@@H]1O[C@H](Oc2ccc(-c3coc4cc5c(c(O)c4c3=O)OCO5)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.37 | Num_heavy_atoms: | 34 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD09750
Formula: C16H10O6
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
