Glycoside
GD011145
Name:
NoneFormula:
C23H30O7N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCCc4cc(OC)c(OC)c(OC)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1cc(CCNc2ncnc3c2N=C[N]3)cc(OC)c1OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 502.53 | Num_heavy_atoms: | 36 |
| TPSA: | 162.11 | 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 |
AD08543
Formula: C16H18O3N5
Smiles:
COc1cc(CCNc2ncnc3c2N=C[N]3)cc(OC)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 328.35 | Num_heavy_atoms: | 24 |
| TPSA: | 91.96 | NumAromaticRings: | 2 |
