Glycoside
GD001844
Name:
NoneFormula:
C20H26O5N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCC4CC5CC4C4OC54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCC2CC3CC2C2OC32)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.47 | Num_heavy_atoms: | 31 |
| TPSA: | 146.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01804
Formula: C13H14ON5
Smiles:
C1=Nc2c(ncnc2NCC2CC3CC2C2OC32)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.29 | Num_heavy_atoms: | 19 |
| TPSA: | 76.8 | NumAromaticRings: | 1 |
