Glycoside
GD033089
Name:
NoneFormula:
C24H28O4N6Smiles:
CC(C)Oc1cc2ccccc2cc1CNC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCc1cc2ccccc2cc1OC(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.53 | Num_heavy_atoms: | 34 |
| TPSA: | 140.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21146
Formula: C15H19ON
Smiles:
CNCc1cc2ccccc2cc1OC(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 229.32 | Num_heavy_atoms: | 17 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
