Glycoside
GD134707
Name:
10-{[3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-1,2,6b,9,9,12a-hexamethyl-4a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acidFormula:
C42H64O15Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 808.96 | Num_heavy_atoms: | 57 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD54485
Formula: C36H54O10
Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1C| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 646.82 | Num_heavy_atoms: | 46 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
