Glycoside
GD017723
Name:
NoneFormula:
C27H51O10N9Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2NCCCCCCNC(=O)[C@@H]2O[C@H](N3C=CC(N)NC3=O)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1C=CNC(=O)N1.NC1CC(N)C(O)C(NCCCCCCNC=O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.85 |
| AlogP: | -6.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 661.76 | Num_heavy_atoms: | 46 |
| TPSA: | 332.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD01861
Formula: C13H28O3N4
Smiles:
NC1CC(N)C(O)C(NCCCCCCNC=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 288.39 | Num_heavy_atoms: | 20 |
| TPSA: | 133.63 | NumAromaticRings: | 0 |
AD04349
Formula: C4H7ON3
Smiles:
NC1C=CNC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 67.15 | NumAromaticRings: | 0 |
