Glycoside
GD030893
Name:
NoneFormula:
C19H27O4N9Smiles:
CCCCc1cn(-c2nc(NC)c3ncn([C@@H]4O[C@H](C(=O)NCC)[C@H](O)[C@H]4O)c3n2)nn1Aglycone:
CCCCc1cn(-c2nc3c(c(NC)n2)N=C[N]3)nn1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 445.48 | Num_heavy_atoms: | 32 |
| TPSA: | 165.13 | NumAromaticRings: | 3 |
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 |
AD10921
Formula: C12H15N8
Smiles:
CCCCc1cn(-c2nc3c(c(NC)n2)N=C[N]3)nn1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.31 | Num_heavy_atoms: | 20 |
| TPSA: | 94.98 | NumAromaticRings: | 2 |
