Glycoside
GD142806
Name:
methyl 2-[5,11-bis(acetyloxy)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,â¸]heptadecan-7-yl]acetateFormula:
C43H60O20Smiles:
C=C1C2CC(OC(C)=O)C3(C)C(c4ccoc4)OC(=O)C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C13OC1CC(OC(C)=O)C(C)(C)C(CC(=O)OC)C12CAglycone:
C=C1C2CC(OC(C)=O)C3(C)C(c4ccoc4)OC(=O)C(O)C13OC1CC(OC(C)=O)C(C)(C)C(CC(=O)OC)C12CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 896.93 | Num_heavy_atoms: | 63 |
| TPSA: | 285.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD57462
Formula: C31H40O11
Smiles:
C=C1C2CC(OC(C)=O)C3(C)C(c4ccoc4)OC(=O)C(O)C13OC1CC(OC(C)=O)C(C)(C)C(CC(=O)OC)C12C| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.65 | Num_heavy_atoms: | 42 |
| TPSA: | 147.8 | NumAromaticRings: | 1 |
