Glycoside
GD032401
Name:
NoneFormula:
C24H48O11N6Smiles:
NCC1CC(OC2CC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)OC2CO)C(N)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1O.NCC1CC(O)C(N)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OCC1OC(O)CC1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 1.0 |
| AlogP: | -7.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.68 | Num_heavy_atoms: | 41 |
| TPSA: | 323.65 | 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 |
AD20783
Formula: C7H16O3N2
Smiles:
NCC1CC(O)C(N)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.22 | Num_heavy_atoms: | 12 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
