Glycoside
GD128641
Name:
8-hydroxy-10-methyl-7-(propan-2-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-oxatricyclo[6.3.1.0â´,¹²]dodeca-1(12),3-dien-11-oneFormula:
C21H30O9Smiles:
CC1CC2(O)c3c(coc3C1=O)C(OC1OC(CO)C(O)C(O)C1O)CC2C(C)CAglycone:
CC1CC2(O)c3c(coc3C1=O)C(O)CC2C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 149.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD52109
Formula: C15H20O4
Smiles:
CC1CC2(O)c3c(coc3C1=O)C(O)CC2C(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
