Glycoside
GD130410
Name:
7-{[5-(6-hydroxy-2,2,6-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)-3-methylpent-2-en-1-yl]oxy}-2H-chromen-2-oneFormula:
C30H42O10Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC1C(C)(O)CCC(OC2OC(CO)C(O)C(O)C2O)C1(C)CAglycone:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC1C(C)(O)CCC(O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD52850
Formula: C24H32O5
Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC1C(C)(O)CCC(O)C1(C)C| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
