Glycoside
GD114806
Name:
methyl 2-[3-oxo-2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl)cyclopentyl]acetateFormula:
C19H30O9Smiles:
COC(=O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CC1CCC(=O)C1CC=CCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD45297
Formula: C13H20O4
Smiles:
COC(=O)CC1CCC(=O)C1CC=CCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
