Glycoside
GD018942
Name:
NoneFormula:
C22H25O7N3Smiles:
COc1ccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)cc1Aglycone:
COc1ccc(-n2c(C)nc3ccc(N)cc3c2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 443.46 | Num_heavy_atoms: | 32 |
| TPSA: | 146.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD12616
Formula: C16H15O2N3
Smiles:
COc1ccc(-n2c(C)nc3ccc(N)cc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 281.31 | Num_heavy_atoms: | 21 |
| TPSA: | 70.14 | NumAromaticRings: | 3 |
