Glycoside
GD138239
Name:
2-(9-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,5-dihydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-22-yl)propan-2-yl acetateFormula:
C37H58O11Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OC(CO)C(O)C2O)C(C)(C)C5CC(O)C4C1(C)C3OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC(O)C4C1(C)C3OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD55822
Formula: C32H50O7
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC(O)C4C1(C)C3O| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
