Glycoside
GD097538
Name:
NoneFormula:
C21H26O8N6Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4CCN(C)C(=O)C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CN1CCN(c2ncnc3c2N=C[N]3)CC1=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.47 | Num_heavy_atoms: | 35 |
| TPSA: | 155.28 | 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 |
AD41497
Formula: C10H11ON6
Smiles:
CN1CCN(c2ncnc3c2N=C[N]3)CC1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.24 | Num_heavy_atoms: | 17 |
| TPSA: | 75.79 | NumAromaticRings: | 1 |
