Glycoside
GD023471
Name:
NoneFormula:
C14H17O4N5SSmiles:
OCCSC[C@@H]1O[C@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncn3ccnc23)[N]1.CSCCOSugarmoiety:
OC1OOC(O)C1O.OCOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.39 | Num_heavy_atoms: | 24 |
| TPSA: | 117.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD03642
Formula: C3H8OS
Smiles:
CSCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.16 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD07502
Formula: C7H4N5
Smiles:
C1=Nc2c(ncn3ccnc23)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
