Glycoside
GD004911
Name:
NoneFormula:
C22H45O10N7Smiles:
NCCCC(=O)N[C@@H]1[C@H](CN)O[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@H]1OAglycone:
NCCCC(=O)NC1C(CN)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.95 |
| AlogP: | -7.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 567.64 | Num_heavy_atoms: | 39 |
| TPSA: | 323.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD04232
Formula: C16H34O6N6
Smiles:
NCCCC(=O)NC1C(CN)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -5.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.48 | Num_heavy_atoms: | 28 |
| TPSA: | 238.35 | NumAromaticRings: | 0 |
