Glycoside
GD009189
Name:
NoneFormula:
C26H35O8N11Smiles:
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(C2O[C@H](CO)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12)C(N)=OAglycone:
N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C1=N[N]c2nc(N)[nH]c(=O)c21)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.42 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 629.63 | Num_heavy_atoms: | 45 |
| TPSA: | 322.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD07228
Formula: C21H26O4N11
Smiles:
N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C1=N[N]c2nc(N)[nH]c(=O)c21)C(N)=O| HBA: | 15 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.29 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 496.51 | Num_heavy_atoms: | 36 |
| TPSA: | 261.42 | NumAromaticRings: | 2 |
