Glycoside
GD023317
Name:
NoneFormula:
C22H29O5N6Smiles:
CC1(C)c2ccc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2C(C)(C)N1[O]Aglycone:
CC1(C)c2ccc(NC3NC=NC4=C3N=C[N]4)cc2C(C)(C)N1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 457.51 | Num_heavy_atoms: | 33 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD15698
Formula: C17H21ON6
Smiles:
CC1(C)c2ccc(NC3NC=NC4=C3N=C[N]4)cc2C(C)(C)N1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 325.4 | Num_heavy_atoms: | 24 |
| TPSA: | 86.35 | NumAromaticRings: | 1 |
