Glycoside
GD127796
Name:
5,5,9,14-tetramethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadecane-4,6,7,9,14-pentolFormula:
C26H44O11Smiles:
CC1(O)CC23CC1CCC2C(C)(O)C1C(O)C(O)C(C)(C)C1(O)C(OC1OC(CO)C(O)C(O)C1O)C3Aglycone:
CC1(O)CC23CC1CCC2C(C)(O)C1C(O)C(O)C(C)(C)C1(O)C(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 532.63 | Num_heavy_atoms: | 37 |
| TPSA: | 200.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD22686
Formula: C20H34O6
Smiles:
CC1(O)CC23CC1CCC2C(C)(O)C1C(O)C(O)C(C)(C)C1(O)C(O)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 370.49 | Num_heavy_atoms: | 26 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
