Glycoside
GD119419
Name:
Nagilactone C 7-O-Alpha-L-Arabinopyranosyl-(1-4)-Beta-D-XylopyranosideFormula:
C29H38O15Smiles:
CC(C)c1oc(=O)cc2c1C(OC1OCC(OC3OCC(O)C(O)C3O)C(O)C1O)C1OC(=O)C3(C)C(O)C4OC4C2(C)C13Aglycone:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C4OC4C2(C)C13Sugarmoiety:
OC1COC(OC2COC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 626.61 | Num_heavy_atoms: | 44 |
| TPSA: | 227.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD47840
Formula: C19H22O7
Smiles:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C4OC4C2(C)C13| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 109.5 | NumAromaticRings: | 1 |
