Glycoside
GD134480
Name:
16-hydroxy-2,6,14,17-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadecane-3,11,15-trioneFormula:
C26H38O11Smiles:
CC1CC(OC2OC(CO)C(O)C(O)C2O)C(=O)C2(C)C1CC1OC(=O)CC3C(C)C(=O)C(O)C2C13CAglycone:
CC1CC(O)C(=O)C2(C)C1CC1OC(=O)CC3C(C)C(=O)C(O)C2C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.58 | Num_heavy_atoms: | 37 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD54401
Formula: C20H28O6
Smiles:
CC1CC(O)C(=O)C2(C)C1CC1OC(=O)CC3C(C)C(=O)C(O)C2C13C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 364.44 | Num_heavy_atoms: | 26 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
