Glycoside
GD135125
Name:
2-[9-({4,5-dihydroxy-3-[(1-oxobut-2-en-2-yl)oxy]oxan-2-yl}oxy)-2-hydroxy-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:
C41H62O11Smiles:
CC=C(C=O)OC1C(OC2CCC34CC35CCC3(C)C6C(C)CC7OC6(OC7C(C)(C)OC(C)=O)C(O)C3(C)C5CCC4C2(C)C)OCC(O)C1OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O.CC=C(O)C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 730.94 | Num_heavy_atoms: | 52 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06682
Formula: C32H50O6
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
AD46864
Formula: C4H6O2
Smiles:
CC=C(O)C=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
