Glycoside
GD022716
Name:
NoneFormula:
C22H32O6N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(CC4CCC(COC(C)=O)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CC(=O)OCC1CCC(Cc2nc(N)c3c(n2)[N]C=N3)CC1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.53 | Num_heavy_atoms: | 34 |
| TPSA: | 174.71 | 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 |
AD15366
Formula: C15H20O2N5
Smiles:
CC(=O)OCC1CCC(Cc2nc(N)c3c(n2)[N]C=N3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.36 | Num_heavy_atoms: | 22 |
| TPSA: | 104.56 | NumAromaticRings: | 1 |
