Glycoside
GD018677
Name:
NoneFormula:
C21H31O4N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N[C@@H]4C[C@@H]5CCC[C@H](C4)N5C)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CN1C2CCCC1CC(Nc1ncnc3c1N=C[N]3)C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.52 | Num_heavy_atoms: | 32 |
| TPSA: | 137.66 | 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 |
AD13135
Formula: C14H19N6
Smiles:
CN1C2CCCC1CC(Nc1ncnc3c1N=C[N]3)C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 271.35 | Num_heavy_atoms: | 20 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
