Glycoside
GD158059
Name:
7-hydroxy-7,7a-dimethyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C17H26O10Smiles:
CC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21CAglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD62417
Formula: C11H16O5
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21C| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
