Glycoside
GD023228
Name:
NoneFormula:
C23H29O6N3Smiles:
CCCCCc1ccc(C#Cc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(=O)nc2N)cc1Aglycone:
CCCCCc1ccc(C#Cc2c[nH]c(=O)nc2N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.5 | Num_heavy_atoms: | 32 |
| TPSA: | 151.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD15646
Formula: C17H19ON3
Smiles:
CCCCCc1ccc(C#Cc2c[nH]c(=O)nc2N)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.36 | Num_heavy_atoms: | 21 |
| TPSA: | 71.77 | NumAromaticRings: | 2 |
