Glycoside
GD000099
Name:
NoneFormula:
C20H20O9Smiles:
O=C1c2c(O)cccc2C(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21Aglycone:
O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 404.37 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00126
Formula: C15H12O5
Smiles:
O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
