Glycoside
GD058445
Name:
NoneFormula:
C15H19O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ncccc2C#N)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1cccnc1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.33 | Num_heavy_atoms: | 24 |
| TPSA: | 144.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD29214
Formula: C9H9O2N3
Smiles:
N#Cc1cccnc1C(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 191.19 | Num_heavy_atoms: | 14 |
| TPSA: | 86.01 | NumAromaticRings: | 1 |
