Glycoside
GD136787
Name:
3-(2,3-dihydroxypentan-2-yl)-9-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-oneFormula:
C37H65O12NSmiles:
CCC(O)C(C)(O)C1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C1CAglycone:
CCC(O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 715.92 | Num_heavy_atoms: | 50 |
| TPSA: | 165.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD55291
Formula: C29H51O9N
Smiles:
CCC(O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C1C| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 557.73 | Num_heavy_atoms: | 39 |
| TPSA: | 138.15 | NumAromaticRings: | 0 |
