Glycoside
GD082775
Name:
NoneFormula:
C19H21O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(=O)c3cc(C#N)ccc3[nH]2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc2[nH]c(C(=O)NCCO)cc(=O)c2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.39 | Num_heavy_atoms: | 29 |
| TPSA: | 164.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD37106
Formula: C13H11O3N3
Smiles:
N#Cc1ccc2[nH]c(C(=O)NCCO)cc(=O)c2c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 257.25 | Num_heavy_atoms: | 19 |
| TPSA: | 105.98 | NumAromaticRings: | 2 |
