Glycoside
GD144861
Name:
(6,7-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-yl)methyl 3-methylbutanoateFormula:
C21H34O11Smiles:
CC(C)CC(=O)OCC1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2(C)OAglycone:
CC(C)CC(=O)OCC1=COC(O)C2C1CC(O)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD58179
Formula: C15H24O6
Smiles:
CC(C)CC(=O)OCC1=COC(O)C2C1CC(O)C2(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.35 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
