Glycoside
GD008849
Name:
NoneFormula:
C41H82O14N6Smiles:
CCCCCCCCN(CCCCCCCC)CCO[C@@H]1[C@H](O[C@@H]2C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)[C@H](N)C[C@H](N)[C@H]2O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NAglycone:
CCCCCCCCN(CCO)CCCCCCCC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 27 |
| MolWt: | 883.13 | Num_heavy_atoms: | 61 |
| TPSA: | 339.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD07017
Formula: C18H39ON
Smiles:
CCCCCCCCN(CCO)CCCCCCCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 16 |
| MolWt: | 285.52 | Num_heavy_atoms: | 20 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
