Glycoside
GD033483
Name:
NoneFormula:
C21H24O3N4Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(NCC4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=C(c2ccccc2)c2c(ncnc2NCC2CC2)[N]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.45 | Num_heavy_atoms: | 28 |
| TPSA: | 92.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD21372
Formula: C16H15N4
Smiles:
C1=C(c2ccccc2)c2c(ncnc2NCC2CC2)[N]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.32 | Num_heavy_atoms: | 20 |
| TPSA: | 51.91 | NumAromaticRings: | 2 |
