Glycoside
GD135142
Name:
6-{[4-(dimethylamino)-5-hydroxy-6-{[14-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoateFormula:
C43H71O15NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC(O)=CC=CCC(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)C1OCAglycone:
CC(C)CC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC(O)=CC=CCC(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 13 |
| MolWt: | 842.03 | Num_heavy_atoms: | 59 |
| TPSA: | 206.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD52512
Formula: C23H36O8
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC(O)=CC=CCC(C)CC(CC=O)C(O)C1OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
