Glycoside
GD058444
Name:
NoneFormula:
C17H21O6NSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C#Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(C#Cc1ccccc1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD29213
Formula: C11H11O2N
Smiles:
O=C(C#Cc1ccccc1)NCCO| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 189.21 | Num_heavy_atoms: | 14 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
