Glycoside
GD004784
Name:
NoneFormula:
C27H38O5N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)c1cc(CCNc2ncnc3c2N=C[N]3)cc(C(C)(C)C)c1OSugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.64 | Num_heavy_atoms: | 38 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00120
Formula: C21H28ON5
Smiles:
CC(C)(C)c1cc(CCNc2ncnc3c2N=C[N]3)cc(C(C)(C)C)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.49 | Num_heavy_atoms: | 27 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
