Glycoside
GD026204
Name:
NoneFormula:
C32H41O9N7Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)N[C@H](C(=O)NC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)C(C)C)C(=O)OC2Aglycone:
CNC(=O)C(NC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O)C(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 667.72 | Num_heavy_atoms: | 48 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD17291
Formula: C23H32O6N2
Smiles:
CNC(=O)C(NC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O)C(C)C| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 432.52 | Num_heavy_atoms: | 31 |
| TPSA: | 113.96 | NumAromaticRings: | 1 |
