Glycoside
GD002822
Name:
NoneFormula:
C22H44O9N6Smiles:
NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4CCCC4)C(O)C(N)C3O)C2O)C(N)C(O)C1OAglycone:
CN1CCCC1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -6.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.63 | Num_heavy_atoms: | 37 |
| TPSA: | 271.41 | 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 |
AD02648
Formula: C5H11N
Smiles:
CN1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 85.15 | Num_heavy_atoms: | 6 |
| TPSA: | 3.24 | NumAromaticRings: | 0 |
