Glycoside
GD044866
Name:
NoneFormula:
C14H23O5N2Smiles:
C[C@@H](Cc1ccncc1)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC([NH3+])Cc1ccncc1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 299.35 | Num_heavy_atoms: | 21 |
| TPSA: | 127.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD25116
Formula: C8H13N2
Smiles:
CC([NH3+])Cc1ccncc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.21 | Num_heavy_atoms: | 10 |
| TPSA: | 40.53 | NumAromaticRings: | 1 |
