Glycoside
GD083161
Name:
NoneFormula:
C18H21O7N5Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2ncc3c(N4CC4)ncnc32)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C1=N[N]c2ncnc(N3CC3)c21.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.39 | Num_heavy_atoms: | 30 |
| TPSA: | 134.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD37154
Formula: C7H6N5
Smiles:
C1=N[N]c2ncnc(N3CC3)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.16 | Num_heavy_atoms: | 12 |
| TPSA: | 55.25 | NumAromaticRings: | 1 |
