Glycoside
GD009912
Name:
NoneFormula:
C34H43O5N7Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)c1cc(C(=O)NCc2ccc(CNc3ncnc4c3N=C[N]4)cc2)cc(C(C)(C)C)c1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 629.76 | Num_heavy_atoms: | 46 |
| TPSA: | 163.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD07726
Formula: C28H33ON6
Smiles:
CC(C)(C)c1cc(C(=O)NCc2ccc(CNc3ncnc4c3N=C[N]4)cc2)cc(C(C)(C)C)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.61 | Num_heavy_atoms: | 35 |
| TPSA: | 93.37 | NumAromaticRings: | 3 |
