Glycoside
GD020755
Name:
NoneFormula:
C21H24O4N7ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCN(c5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NN3CCN(c4ccccc4)CC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.91 | Num_heavy_atoms: | 32 |
| TPSA: | 132.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD14277
Formula: C16H15N7Cl
Smiles:
Clc1nc2c(c(NN3CCN(c4ccccc4)CC3)n1)N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.79 | Num_heavy_atoms: | 23 |
| TPSA: | 70.75 | NumAromaticRings: | 2 |
