Glycoside
GD117394
Name:
10-O-ProtocatechuylcatalpolFormula:
C22H26O13Smiles:
O=C(OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)c(O)c1Aglycone:
O=C(OCC12OC1C(O)C1C=COC(O)C12)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.44 | Num_heavy_atoms: | 35 |
| TPSA: | 208.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD46798
Formula: C16H16O8
Smiles:
O=C(OCC12OC1C(O)C1C=COC(O)C12)c1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.3 | Num_heavy_atoms: | 24 |
| TPSA: | 128.98 | NumAromaticRings: | 1 |
