Glycoside
GD088045
Name:
NoneFormula:
C21H28O7N4Smiles:
CCn1nnc2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]2COCc1ccccc1Aglycone:
CCn1nnc2c1CCNC2COCc1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 448.48 | Num_heavy_atoms: | 32 |
| TPSA: | 158.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD38571
Formula: C15H20ON4
Smiles:
CCn1nnc2c1CCNC2COCc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.35 | Num_heavy_atoms: | 20 |
| TPSA: | 51.97 | NumAromaticRings: | 2 |
