Glycoside
GD125395
Name:
2-[2-hydroxy-3,8,8,17,19-pentamethyl-9-({[(3,4,5-trihydroxyoxan-2-yl)oxy]carbonyl}oxy)-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-22-yl]propan-2-yl acetateFormula:
C38H58O12Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC(=O)OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC(=O)O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 706.87 | Num_heavy_atoms: | 50 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD50711
Formula: C33H50O8
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC(=O)O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 574.76 | Num_heavy_atoms: | 41 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
