Glycoside
GD008149
Name:
NoneFormula:
C14H16O3N5ISmiles:
O[C@@H]1[C@H](C=CI)O[C@H](n2cnc3c(NC4CC4)ncnc32)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CC2)[N]1Sugarmoiety:
OC1OC(C=CI)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 429.22 | Num_heavy_atoms: | 23 |
| TPSA: | 105.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD01818
Formula: C8H8N5
Smiles:
C1=Nc2c(ncnc2NC2CC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.19 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
