Glycoside
GD025180
Name:
NoneFormula:
C34H68O11N4Smiles:
CCCCCCCCOC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](O)[C@H](N)[C@H]1OCCCCCCCCAglycone:
CCCCCCCCO.CCCCCCCCOC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1OC(CO)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 22 |
| MolWt: | 708.93 | Num_heavy_atoms: | 49 |
| TPSA: | 260.61 | 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 |
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD08635
Formula: C9H20O
Smiles:
CCCCCCCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 144.26 | Num_heavy_atoms: | 10 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
