Glycoside
GD000499
Name:
NoneFormula:
C27H54O14N8Smiles:
NCC[C@H](O)C(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NAglycone:
CNC(=O)C(O)CCN.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 22 | FractionCSP3: | 0.96 |
| AlogP: | -10.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 714.77 | Num_heavy_atoms: | 49 |
| TPSA: | 408.23 | 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 |
AD00556
Formula: C5H12O2N2
Smiles:
CNC(=O)C(O)CCN| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
