Glycoside
GD147529
Name:
Nagilactone C 7-O-Beta-D-Glucopyranosyl-(1-4)-Beta-D-XylopyranosideFormula:
C30H40O16Smiles:
CC(C)c1oc(=O)cc2c1C(OC1OCC(OC3OC(CO)C(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:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 656.63 | Num_heavy_atoms: | 46 |
| TPSA: | 247.57 | 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 |
