Glycoside
GD020043
Name:
NoneFormula:
C22H29O3N7Smiles:
Cc1cc(C)n(C[C@@H]2O[C@H](n3cnc4c(NC5CC6CCC5C6)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1.Cc1cc(C)n(C)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.52 | Num_heavy_atoms: | 32 |
| TPSA: | 123.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00279
Formula: C6H10N2
Smiles:
Cc1cc(C)n(C)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.16 | Num_heavy_atoms: | 8 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
AD00439
Formula: C12H14N5
Smiles:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
