Glycoside
GD152462
Name:
2-(9-{[4-(dimethylamino)-3-hydroxy-6-methyl-5-[(6-methyl-5-oxooxan-3-yl)oxy]oxan-2-yl]oxy}-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl)acetaldehydeFormula:
C37H59O12NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3COC(C)C(=O)C3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CAglycone:
CC1OCC(O)CC1=O.CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 709.87 | Num_heavy_atoms: | 50 |
| TPSA: | 170.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD06113
Formula: C23H36O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 113.43 | NumAromaticRings: | 0 |
AD60702
Formula: C6H10O3
Smiles:
CC1OCC(O)CC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
