Glycoside
GD085186
Name:
NoneFormula:
C21H29O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2CCN(c3ccccc3C#N)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccccc1N1CCC(C(=O)NCCO)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.48 | Num_heavy_atoms: | 30 |
| TPSA: | 135.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD38104
Formula: C15H19O2N3
Smiles:
N#Cc1ccccc1N1CCC(C(=O)NCCO)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 273.34 | Num_heavy_atoms: | 20 |
| TPSA: | 76.36 | NumAromaticRings: | 1 |
