Glycoside
GD008545
Name:
NoneFormula:
C18H21O5N6ClSmiles:
O=C([C@@H]1O[C@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@H]1O)N1CCOCC1Aglycone:
Clc1nc2c(c(NC3CC3)n1)N=C[N]2.O=CN1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.85 | Num_heavy_atoms: | 29 |
| TPSA: | 134.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD05370
Formula: C5H9O2N
Smiles:
O=CN1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
AD06816
Formula: C9H7N5Cl
Smiles:
Clc1nc2c(c(NC3CC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.63 | Num_heavy_atoms: | 14 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
