Glycoside
GD033202
Name:
NoneFormula:
C25H35O3N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@H](O)[C@H]1OAglycone:
CSCCCCCNCC1Cc2ccccc2CN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 513.67 | Num_heavy_atoms: | 36 |
| TPSA: | 143.37 | 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 |
AD21213
Formula: C16H26N2S
Smiles:
CSCCCCCNCC1Cc2ccccc2CN1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 278.47 | Num_heavy_atoms: | 19 |
| TPSA: | 24.06 | NumAromaticRings: | 1 |
