Glycoside
GD100946
Name:
NoneFormula:
C22H29O8N5Smiles:
CCC1(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)COC1Aglycone:
CCC1(CNc2ncnc3c2N=C[N]3)COC1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 491.5 | Num_heavy_atoms: | 35 |
| TPSA: | 152.99 | 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 |
AD42660
Formula: C11H14ON5
Smiles:
CCC1(CNc2ncnc3c2N=C[N]3)COC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.27 | Num_heavy_atoms: | 17 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
