Glycoside
GD069658
Name:
NoneFormula:
C14H17O5N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC4=CCOC4)[nH]c(=S)nc32)[C@H](O)[C@@H]1OAglycone:
S=c1nc2c(c(NC3=CCOC3)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.39 | Num_heavy_atoms: | 25 |
| TPSA: | 137.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD33022
Formula: C9H8ON5S
Smiles:
S=c1nc2c(c(NC3=CCOC3)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.26 | Num_heavy_atoms: | 16 |
| TPSA: | 76.4 | NumAromaticRings: | 1 |
