Glycoside
GD019049
Name:
NoneFormula:
C30H28O4N6Smiles:
OC[C@@H]1OC(n2cnc3c(NCC4c5ccccc5-c5ccccc54)nc(Nc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(Nc3ccccc3)nc2NCC2c3ccccc3-c3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.59 | Num_heavy_atoms: | 40 |
| TPSA: | 137.58 | NumAromaticRings: | 5 |
Unique Aglycone
AD13345
Formula: C25H19N6
Smiles:
C1=Nc2c(nc(Nc3ccccc3)nc2NCC2c3ccccc3-c3ccccc32)[N]1| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.47 | Num_heavy_atoms: | 31 |
| TPSA: | 76.3 | NumAromaticRings: | 4 |
