Glycoside
GD072721
Name:
NoneFormula:
C18H27O7N3Smiles:
O=C(C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1ncn2c1CNCC(COCC1CC1)C2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 397.43 | Num_heavy_atoms: | 28 |
| TPSA: | 145.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD33863
Formula: C12H19ON3
Smiles:
c1ncn2c1CNCC(COCC1CC1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 221.3 | Num_heavy_atoms: | 16 |
| TPSA: | 39.08 | NumAromaticRings: | 1 |
