Glycoside
GD088774
Name:
NoneFormula:
C21H28O6N5Smiles:
O=C(C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1cncc(-c2cnc3n2CCNC32CC[NH2+]CC2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.48 | Num_heavy_atoms: | 32 |
| TPSA: | 165.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD38844
Formula: C15H20N5
Smiles:
c1cncc(-c2cnc3n2CCNC32CC[NH2+]CC2)c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.36 | Num_heavy_atoms: | 20 |
| TPSA: | 59.35 | NumAromaticRings: | 2 |
