Glycoside
GD133164
Name:
1-tuberculosinyladenosine(1+)Formula:
C30H48O4N5Smiles:
CC(=CCN1CN=c2c(ncn2C2OC(CO)C(O)C2O)=C1[NH3+])CCC1(C)C(C)CC=C2C1CCCC2(C)CAglycone:
CC(=CCN1CN=C2[N]C=NC2=C1[NH3+])CCC1(C)C(C)CC=C2C1CCCC2(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.75 | Num_heavy_atoms: | 39 |
| TPSA: | 130.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD53908
Formula: C25H39N5
Smiles:
CC(=CCN1CN=C2[N]C=NC2=C1[NH3+])CCC1(C)C(C)CC=C2C1CCCC2(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.62 | Num_heavy_atoms: | 30 |
| TPSA: | 69.7 | NumAromaticRings: | 0 |
