Glycoside
GD095091
Name:
NoneFormula:
C20H25O9N3Smiles:
COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C3)C2=O)cc1Aglycone:
COc1ccc(CN2C(=O)NC3(CCNC3)C2=O)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 451.43 | Num_heavy_atoms: | 32 |
| TPSA: | 176.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD40612
Formula: C14H17O3N3
Smiles:
COc1ccc(CN2C(=O)NC3(CCNC3)C2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.31 | Num_heavy_atoms: | 20 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
