Glycoside
GD098702
Name:
NoneFormula:
C20H29O7N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCC(C)C(NC(=O)Nc1ncnc2c1N=C[N]2)C(=O)OC.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.49 | Num_heavy_atoms: | 34 |
| TPSA: | 189.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD39769
Formula: C13H17O3N6
Smiles:
CCC(C)C(NC(=O)Nc1ncnc2c1N=C[N]2)C(=O)OC| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.32 | Num_heavy_atoms: | 22 |
| TPSA: | 119.67 | NumAromaticRings: | 1 |
