Glycoside
GD002500
Name:
NoneFormula:
C16H22O4N4Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)ccnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(NC3CCCC3)ccnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.38 | Num_heavy_atoms: | 24 |
| TPSA: | 112.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD02382
Formula: C11H13N4
Smiles:
C1=Nc2c(NC3CCCC3)ccnc2[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 201.25 | Num_heavy_atoms: | 15 |
| TPSA: | 51.38 | NumAromaticRings: | 1 |
