Glycoside
GD055931
Name:
NoneFormula:
C13H19O8N3Smiles:
COc1nc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C)c(OC)n1Aglycone:
COc1nc(N)c(C)c(OC)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 345.31 | Num_heavy_atoms: | 24 |
| TPSA: | 171.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD28180
Formula: C7H11O2N3
Smiles:
COc1nc(N)c(C)c(OC)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 70.26 | NumAromaticRings: | 1 |
