Glycoside
GD129742
Name:
6,7-dihydroxy-7-methyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydrocyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C21H36O11Smiles:
CC(C)CC(=O)OC1OCC(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(C)(O)C12Aglycone:
CC(C)CC(=O)OC1OCC(CO)C2CC(O)C(C)(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD52564
Formula: C15H26O6
Smiles:
CC(C)CC(=O)OC1OCC(CO)C2CC(O)C(C)(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.37 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
