Glycoside
GD092063
Name:
NoneFormula:
C21H26O4N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4cccc5c4CC[NH2+]C5)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2cccc3c2CC[NH2+]C3)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.48 | Num_heavy_atoms: | 32 |
| TPSA: | 151.03 | NumAromaticRings: | 3 |
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 |
AD40190
Formula: C14H14N6
Smiles:
C1=Nc2c(ncnc2Nc2cccc3c2CC[NH2+]C3)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.31 | Num_heavy_atoms: | 20 |
| TPSA: | 80.88 | NumAromaticRings: | 2 |
