Glycoside
GD154070
Name:
JuspurpurinFormula:
C26H26O12Smiles:
O=C1OCC(COC2OC(CO)C(O)C(O)C2O)=C1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2Aglycone:
O=C1OCC(CO)=C1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.48 | Num_heavy_atoms: | 38 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD61233
Formula: C20H16O7
Smiles:
O=C1OCC(CO)=C1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.34 | Num_heavy_atoms: | 27 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
