Glycoside
GD020909
Name:
NoneFormula:
C27H55O14N7Smiles:
NCCNCCO[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NAglycone:
NC1CC(N)C(O)C(O)C1O.NCCNCCOSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -9.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 701.77 | Num_heavy_atoms: | 48 |
| TPSA: | 374.37 | 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 |
AD14356
Formula: C4H12ON2
Smiles:
NCCNCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 104.15 | Num_heavy_atoms: | 7 |
| TPSA: | 58.28 | NumAromaticRings: | 0 |
