Glycoside
GD103078
Name:
NoneFormula:
C22H24O5N6SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)Cc3sc4ccccc4c3C)c(=N)nc21Aglycone:
Cc1c(CC(=O)n2c(N)c3c(nc2=N)[N]C=N3)sc2ccccc12Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.54 | Num_heavy_atoms: | 34 |
| TPSA: | 161.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD43616
Formula: C16H13ON6S
Smiles:
Cc1c(CC(=O)n2c(N)c3c(nc2=N)[N]C=N3)sc2ccccc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 337.39 | Num_heavy_atoms: | 24 |
| TPSA: | 111.22 | NumAromaticRings: | 3 |
