Glycoside
GD139383
Name:
2-(6-{[4-(dimethylamino)-5-[(5-ethoxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy]-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethoxy-12-hydroxy-5,9,16-trimethyl-2-oxo-1-oxacyclohexadeca-10,13-dien-7-yl)acetaldehydeFormula:
C39H67O12NSmiles:
CCOC1CC(=O)OC(C)CC=CC(O)C=CC(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OCC)C(C)O3)C(N(C)C)C2O)C1CAglycone:
CCOC1CC(=O)OC(C)CC=CC(O)C=CC(C)CC(CC=O)C(O)C1CSugarmoiety:
CCOC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 11 |
| MolWt: | 741.96 | Num_heavy_atoms: | 52 |
| TPSA: | 162.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD56203
Formula: C22H36O6
Smiles:
CCOC1CC(=O)OC(C)CC=CC(O)C=CC(C)CC(CC=O)C(O)C1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.52 | Num_heavy_atoms: | 28 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
