Glycoside
GD004847
Name:
NoneFormula:
C35H46O5N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc(C(C)(C)C)c1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 658.8 | Num_heavy_atoms: | 48 |
| TPSA: | 189.54 | NumAromaticRings: | 4 |
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 |
AD04182
Formula: C28H34ON7
Smiles:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc(C(C)(C)C)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.63 | Num_heavy_atoms: | 36 |
| TPSA: | 119.39 | NumAromaticRings: | 3 |
