Glycoside
GD116965
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 11-hydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H40O9Smiles:
CC1C(=O)C23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2C(O)CC1C3Aglycone:
CC1C(=O)C23CCC4C(C)(C(=O)O)CCCC4(C)C2C(O)CC1C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46555
Formula: C20H30O4
Smiles:
CC1C(=O)C23CCC4C(C)(C(=O)O)CCCC4(C)C2C(O)CC1C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
