Glycoside
GD119759
Name:
2-{[8-(3,3-dimethyloxiran-2-yl)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-18-yl]oxy}-4,5-dihydroxyoxan-3-yl acetateFormula:
C37H58O10Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C6C(C)CC(C7OC7(C)C)OC6(O)C(O)C3(C)C5CCC4C2(C)C)OCC(O)C1OAglycone:
CC1CC(C2OC2(C)C)OC2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 147.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD48039
Formula: C30H48O5
Smiles:
CC1CC(C2OC2(C)C)OC2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
