Glycoside
GD031530
Name:
NoneFormula:
C17H25O5N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NC2CCCC2O)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.43 | Num_heavy_atoms: | 29 |
| TPSA: | 180.67 | 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 |
AD09209
Formula: C10H13ON6
Smiles:
Nc1nc(NC2CCCC2O)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 233.26 | Num_heavy_atoms: | 17 |
| TPSA: | 110.52 | NumAromaticRings: | 1 |
