Glycoside
GD138031
Name:
1,7,7,11,16,20,20-heptamethyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[13.8.0.0³,¹².0â¶,¹¹.0¹â¶,²¹]tricos-3-en-8-yl acetateFormula:
C37H60O7Smiles:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC45C)CC3=CCC2C1(C)CAglycone:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 616.88 | Num_heavy_atoms: | 44 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48781
Formula: C32H52O3
Smiles:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 7.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.77 | Num_heavy_atoms: | 35 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
