Glycoside
GD132771
Name:
8-(3,3-dimethyloxiran-2-yl)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-8-yl acetateFormula:
C37H58O11Smiles:
CC(=O)OC1(C2OC2(C)C)CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21CAglycone:
CC(=O)OC1(C2OC2(C)C)CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 167.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD53752
Formula: C32H50O7
Smiles:
CC(=O)OC1(C2OC2(C)C)CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
