Glycoside
GD031000
Name:
NoneFormula:
C22H46O9N6Smiles:
CCN(CC)CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1OAglycone:
CCN(C)CC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
CO.NC1C(O)OOC(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -5.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.64 | 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 |
AD20023
Formula: C5H13N
Smiles:
CCN(C)CC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 87.17 | Num_heavy_atoms: | 6 |
| TPSA: | 3.24 | NumAromaticRings: | 0 |
