Glycoside
GD021015
Name:
NoneFormula:
C23H21O3N4BrSmiles:
C[C@@H]1O[C@H](n2c(Br)c(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
BrC1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 481.35 | Num_heavy_atoms: | 31 |
| TPSA: | 92.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD14421
Formula: C18H12N4Br
Smiles:
BrC1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.23 | Num_heavy_atoms: | 23 |
| TPSA: | 51.91 | NumAromaticRings: | 3 |
