Glycoside
GD026658
Name:
NoneFormula:
C28H30O5N6Smiles:
CC(C)=CC(=O)NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)C=C(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 530.59 | Num_heavy_atoms: | 39 |
| TPSA: | 143.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD00191
Formula: C18H14ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
AD17560
Formula: C6H11ON
Smiles:
CNC(=O)C=C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
