Glycoside
GD012312
Name:
NoneFormula:
C22H23O4N6ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CC=C(c5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NN3CC=C(c4ccccc4)CC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.91 | Num_heavy_atoms: | 32 |
| TPSA: | 128.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD09301
Formula: C17H14N6Cl
Smiles:
Clc1nc2c(c(NN3CC=C(c4ccccc4)CC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.78 | Num_heavy_atoms: | 23 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
