Glycoside
GD150239
Name:
2-hydroxy-4,5,9,9,13,20,20-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-22-yl acetateFormula:
C37H58O9Smiles:
CC(=O)OC1CC(C)(C)CC2C13COC21C=CC2C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3OAglycone:
CC(=O)OC1CC(C)(C)CC2C13COC21C=CC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60027
Formula: C32H50O5
Smiles:
CC(=O)OC1CC(C)(C)CC2C13COC21C=CC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
