Glycoside
GD152481
Name:
8-(2-hydroxypropan-2-yl)-4,12,17,17-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosane-3,10,11-triolFormula:
C33H54O10Smiles:
CC(C)(O)C1CCC2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CC(O)C21CAglycone:
CC(C)(O)C1CCC2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 610.79 | Num_heavy_atoms: | 43 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD60711
Formula: C28H46O6
Smiles:
CC(C)(O)C1CCC2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C21C| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
