Glycoside
GD048839
Name:
NoneFormula:
C13H19O6N3Smiles:
Cc1cnc(CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)nc1Aglycone:
Cc1cnc(CCN)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 313.31 | Num_heavy_atoms: | 22 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD25978
Formula: C7H11N3
Smiles:
Cc1cnc(CCN)nc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.19 | Num_heavy_atoms: | 10 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
