Glycoside
GD016782
Name:
NoneFormula:
C32H37O7N8SISmiles:
O=C(CCCCCNC(=O)c1cccc(I)c1)NCCSC[C@@H]1O[C@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCNC(=O)CCCCCNC(=O)c1cccc(I)c1.O=[N+]([O-])c1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 17 |
| MolWt: | 804.67 | Num_heavy_atoms: | 49 |
| TPSA: | 206.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD00952
Formula: C12H9O2N6
Smiles:
O=[N+]([O-])c1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
AD12043
Formula: C16H23O2N2SI
Smiles:
CSCCNC(=O)CCCCCNC(=O)c1cccc(I)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 434.34 | Num_heavy_atoms: | 22 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
