Glycoside
GD002136
Name:
NoneFormula:
C16H21O5N6ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCCC(O)C4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
OC1CCCN(Nc2nc(Cl)nc3c2N=C[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.82 | Num_heavy_atoms: | 27 |
| TPSA: | 149.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD02069
Formula: C11H12ON6Cl
Smiles:
OC1CCCN(Nc2nc(Cl)nc3c2N=C[N]3)C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.7 | Num_heavy_atoms: | 18 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
