Glycoside
GD027714
Name:
NoneFormula:
C22H44O11N6Smiles:
NCC[C@H](O)C(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)C[C@H]1OAglycone:
NCCC(O)C(=O)NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.95 |
| AlogP: | -7.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.63 | Num_heavy_atoms: | 39 |
| TPSA: | 317.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD18184
Formula: C16H33O7N5
Smiles:
NCCC(O)C(=O)NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | -5.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.47 | Num_heavy_atoms: | 28 |
| TPSA: | 232.56 | NumAromaticRings: | 0 |
