Glycoside
GD087881
Name:
NoneFormula:
C21H25O7N3Smiles:
O=C(C(=O)N1CCc2c(COCc3ccccn3)cncc2C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1ccc(COCc2cncc3c2CCNC3)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 431.45 | Num_heavy_atoms: | 31 |
| TPSA: | 153.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD38534
Formula: C15H17ON3
Smiles:
c1ccc(COCc2cncc3c2CCNC3)nc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 255.32 | Num_heavy_atoms: | 19 |
| TPSA: | 47.04 | NumAromaticRings: | 2 |
