Glycoside
GD018424
Name:
NoneFormula:
C21H23O6N3Smiles:
COc1ccc(-n2c(C)nc3ccc(NC4OCC(O)C(O)C4O)cc3c2=O)cc1Aglycone:
COc1ccc(-n2c(C)nc3ccc(N)cc3c2=O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.43 | Num_heavy_atoms: | 30 |
| TPSA: | 126.07 | 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 |
