Glycoside
GD013685
Name:
NoneFormula:
C21H24O4N5FSmiles:
O[C@@H]1C(n2cnc3c(NC4CCCC4)ncnc32)O[C@@H](COc2ccccc2F)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.COc1ccccc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.45 | Num_heavy_atoms: | 31 |
| TPSA: | 114.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD10172
Formula: C7H7OF
Smiles:
COc1ccccc1F| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.13 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
