Glycoside
GD121910
Name:
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-oneFormula:
C36H50O15Smiles:
C=C1CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1Aglycone:
C=C1CC(O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 722.78 | Num_heavy_atoms: | 51 |
| TPSA: | 238.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD07601
Formula: C24H30O5
Smiles:
C=C1CC(O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.5 | Num_heavy_atoms: | 29 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
