Glycoside
GD139889
Name:
2''-AcetylcalluninFormula:
C23H24O13Smiles:
CC(=O)OC1C(Oc2c(O)cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3=O)OC(CO)C(O)C1OAglycone:
O=C1c2c(O)cc(O)c(O)c2OC(c2ccc(O)cc2)C1OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.43 | Num_heavy_atoms: | 36 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD55904
Formula: C15H12O7
Smiles:
O=C1c2c(O)cc(O)c(O)c2OC(c2ccc(O)cc2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
