Glycoside
GD134286
Name:
9-(3-hydroxybut-1-en-1-yl)-14-methyl-13-{[6-methyl-5-(methylamino)oxan-2-yl]oxy}-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dioneFormula:
C42H65O11NSmiles:
CNC1CCC(OC2CCCC(C=CC(C)O)OC(=O)CC3C(=CC4C3C=CC3CC(OC5OC(C)C(OC)C(OC)C5OC)CC34)C(=O)C2C)OC1CAglycone:
CNC1CCC(OC2CCCC(C=CC(C)O)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)OC1CSugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 759.98 | Num_heavy_atoms: | 54 |
| TPSA: | 140.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD54331
Formula: C33H49O7N
Smiles:
CNC1CCC(OC2CCCC(C=CC(C)O)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)OC1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 571.76 | Num_heavy_atoms: | 41 |
| TPSA: | 114.32 | NumAromaticRings: | 0 |
