Glycoside
GD036159
Name:
NoneFormula:
C22H27O5N3Smiles:
CCCCCc1ccc(-c2cc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c(=O)nc3[nH]2)cc1Aglycone:
CCCCCc1ccc(-c2cc3c[nH]c(=O)nc3[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.47 | Num_heavy_atoms: | 30 |
| TPSA: | 120.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD22834
Formula: C17H19ON3
Smiles:
CCCCCc1ccc(-c2cc3c[nH]c(=O)nc3[nH]2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 281.36 | Num_heavy_atoms: | 21 |
| TPSA: | 61.54 | NumAromaticRings: | 3 |
