Glycoside
GD031649
Name:
NoneFormula:
C26H44O13N10SSmiles:
N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CSCc1cn(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)C(=O)OAglycone:
N=C(N)NCCCC(N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CSCc1cn(CCO)nn1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 0.69 |
| AlogP: | -6.44 | Num_rotatable_bonds: | 22 |
| MolWt: | 736.76 | Num_heavy_atoms: | 50 |
| TPSA: | 379.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD07929
Formula: C20H34O8N10S
Smiles:
N=C(N)NCCCC(N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CSCc1cn(CCO)nn1)C(=O)O| HBA: | 18 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.6 |
| AlogP: | -4.26 | Num_rotatable_bonds: | 19 |
| MolWt: | 574.62 | Num_heavy_atoms: | 39 |
| TPSA: | 300.76 | NumAromaticRings: | 1 |
