Glycoside
GD016120
Name:
NoneFormula:
C20H26O4N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCC4CC5C=CC4C5)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=CC2CC1CC2CNc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.47 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | 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 |
AD11645
Formula: C13H14N5
Smiles:
C1=CC2CC1CC2CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.29 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
