Glycoside
GD072917
Name:
NoneFormula:
C17H22O6N4Smiles:
O=C(C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1ccc2[nH]c(N3CCNCC3)nc2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.39 | Num_heavy_atoms: | 27 |
| TPSA: | 150.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD33912
Formula: C11H14N4
Smiles:
c1ccc2[nH]c(N3CCNCC3)nc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.26 | Num_heavy_atoms: | 15 |
| TPSA: | 43.95 | NumAromaticRings: | 2 |
