Glycoside
GD091194
Name:
NoneFormula:
C19H23O8N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4CC(O)C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.OC1CN(c2ncnc3c2N=C[N]3)C1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.42 | Num_heavy_atoms: | 32 |
| TPSA: | 155.2 | 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 |
AD39756
Formula: C8H8ON5
Smiles:
OC1CN(c2ncnc3c2N=C[N]3)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.19 | Num_heavy_atoms: | 14 |
| TPSA: | 75.71 | NumAromaticRings: | 1 |
