Glycoside
GD124682
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl)methyl 3-methylbutanoateFormula:
C20H30O10Smiles:
CC(C)CC(=O)OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(C)CC(=O)OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.45 | Num_heavy_atoms: | 30 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50384
Formula: C14H20O5
Smiles:
CC(C)CC(=O)OCC1=CC(O)C2C=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.31 | Num_heavy_atoms: | 19 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
