Glycoside
GD123806
Name:
NoneFormula:
C44H67O11N3Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CC(O)=NC6CC6=NCN=C6)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CC(O)=NC6CC6=NCN=C6)C(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 814.03 | Num_heavy_atoms: | 58 |
| TPSA: | 234.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD49984
Formula: C39H59O7N3
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CC(O)=NC6CC6=NCN=C6)C(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 681.91 | Num_heavy_atoms: | 49 |
| TPSA: | 175.53 | NumAromaticRings: | 0 |
