Glycoside
GD149113
Name:
2-{2-hydroxy-3,8,8,17-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracos-4-en-22-yl}propan-2-yl acetateFormula:
C36H54O10Smiles:
CC(=O)OC(C)(C)C1OC23OC1CCC2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CC=C4C1(C)C3OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CCC2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 646.82 | Num_heavy_atoms: | 46 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD59630
Formula: C31H46O6
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CCC2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 514.7 | Num_heavy_atoms: | 37 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
