Glycoside
GD011286
Name:
AloinFormula:
C21H22O9Smiles:
O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21Aglycone:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 167.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00446
Formula: C15H12O4
Smiles:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
