Glycoside
GD036110
Name:
NoneFormula:
C18H21O3N5Smiles:
C[C@@H]1O[C@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2ccccc2)[N]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.4 | Num_heavy_atoms: | 26 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD01394
Formula: C13H12N5
Smiles:
C1=Nc2c(ncnc2NCCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
