Glycoside
GD157312
Name:
1-{1-[2-(2-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-4a-methyl-octahydro-2H-1-benzopyran-6-ylidene]-5-hydroxy-4,7a-dimethyl-octahydro-1H-inden-4-yl}-4-methoxy-4-methylpentan-3-yl acetateFormula:
C41H69O11NSmiles:
COC(C)(C)C(CCC1(C)C(O)CCC2(C)C(=C3CCC4OC(C(C)(C)OC5OC(CO)C(O)C(O)C5N=C(C)O)CCC4(C)C3)CCC21)OC(C)=OAglycone:
COC(C)(C)C(CCC1(C)C(O)CCC2(C)C(=C3CCC4OC(C(C)(C)O)CCC4(C)C3)CCC21)OC(C)=OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 752.0 | Num_heavy_atoms: | 53 |
| TPSA: | 176.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD62205
Formula: C33H56O6
Smiles:
COC(C)(C)C(CCC1(C)C(O)CCC2(C)C(=C3CCC4OC(C(C)(C)O)CCC4(C)C3)CCC21)OC(C)=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.81 | Num_heavy_atoms: | 39 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
