Glycoside
GD016082
Name:
NoneFormula:
C18H26O4N6Smiles:
C=CCNC(=O)[C@@H]1OC(n2cnc3c(NC(CC)CC)ncnc32)[C@H](O)[C@H]1OAglycone:
C=CCNC=O.CCC(CC)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.44 | Num_heavy_atoms: | 28 |
| TPSA: | 134.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD02935
Formula: C10H14N5
Smiles:
CCC(CC)Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.26 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD05038
Formula: C4H7ON
Smiles:
C=CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
