Glycoside
GD072782
Name:
NoneFormula:
C18H21O6N3Smiles:
O=C(C(=O)N(Cc1cccnc1)Cc1ccccn1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1ccc(CNCc2cccnc2)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 375.38 | Num_heavy_atoms: | 27 |
| TPSA: | 144.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD33880
Formula: C12H13N3
Smiles:
c1ccc(CNCc2cccnc2)nc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 199.26 | Num_heavy_atoms: | 15 |
| TPSA: | 37.81 | NumAromaticRings: | 2 |
