Glycoside
GD072922
Name:
NoneFormula:
C18H21O6N3Smiles:
O=C(C(=O)N1CCc2nn(-c3ccccc3)cc2C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1ccc(-n2cc3c(n2)CCNC3)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 375.38 | Num_heavy_atoms: | 27 |
| TPSA: | 136.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD33915
Formula: C12H13N3
Smiles:
c1ccc(-n2cc3c(n2)CCNC3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.26 | Num_heavy_atoms: | 15 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
