Glycoside
GD015767
Name:
NoneFormula:
C22H28O5N6Smiles:
OC[C@@H]1OC(n2cnc3c(NCC4CCCO4)nc(NCc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCc3ccccc3)nc2NCC2CCCO2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.5 | Num_heavy_atoms: | 33 |
| TPSA: | 146.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD11421
Formula: C17H19ON6
Smiles:
C1=Nc2c(nc(NCc3ccccc3)nc2NCC2CCCO2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.38 | Num_heavy_atoms: | 24 |
| TPSA: | 85.53 | NumAromaticRings: | 2 |
