Glycoside
GD122967
Name:
[2,3-dihydroxy-2-methyl-5-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)cyclopentyl]methyl 3-methylbutanoateFormula:
C21H36O10Smiles:
C=C(COC1OC(CO)C(O)C(O)C1O)C1CC(O)C(C)(O)C1COC(=O)CC(C)CAglycone:
C=C(CO)C1CC(O)C(C)(O)C1COC(=O)CC(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.51 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49598
Formula: C15H26O5
Smiles:
C=C(CO)C1CC(O)C(C)(O)C1COC(=O)CC(C)C| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.37 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
