Glycoside
GD027435
Name:
NoneFormula:
C22H21O3N5Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(Nc4cccnc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=C(c2ccccc2)c2c(ncnc2Nc2cccnc2)[N]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 403.44 | Num_heavy_atoms: | 30 |
| TPSA: | 105.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD18031
Formula: C17H12N5
Smiles:
C1=C(c2ccccc2)c2c(ncnc2Nc2cccnc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.32 | Num_heavy_atoms: | 22 |
| TPSA: | 64.8 | NumAromaticRings: | 3 |
