Glycoside
GD138227
Name:
7-(acetyloxy)-9-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl propanoateFormula:
C40H65O16NSmiles:
CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(C)=O)C(OC)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC1CAglycone:
CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 815.95 | Num_heavy_atoms: | 57 |
| TPSA: | 218.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD55074
Formula: C25H38O10
Smiles:
CCC(=O)OC1C=CC2OC2CC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.57 | Num_heavy_atoms: | 35 |
| TPSA: | 137.96 | NumAromaticRings: | 0 |
