Glycoside
GD015393
Name:
NoneFormula:
C20H28O4N8Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#CCN4CCN(C)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CN1CCN(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.5 | Num_heavy_atoms: | 32 |
| TPSA: | 154.89 | 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 |
AD11191
Formula: C13H16N7
Smiles:
CN1CCN(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.32 | Num_heavy_atoms: | 20 |
| TPSA: | 84.74 | NumAromaticRings: | 1 |
