Glycoside
GD021408
Name:
NoneFormula:
C22H25O5N6ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCC(Oc5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NN3CCC(Oc4ccccc4)CC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.92 | Num_heavy_atoms: | 33 |
| TPSA: | 138.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD14642
Formula: C17H16ON6Cl
Smiles:
Clc1nc2c(c(NN3CCC(Oc4ccccc4)CC3)n1)N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 343.8 | Num_heavy_atoms: | 24 |
| TPSA: | 76.74 | NumAromaticRings: | 2 |
