Glycoside
GD025015
Name:
NoneFormula:
C18H16O7N3ClSmiles:
N#Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=OAglycone:
N#Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 409.78 | Num_heavy_atoms: | 28 |
| TPSA: | 168.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD16633
Formula: C12H6O2N3Cl
Smiles:
N#Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 247.64 | Num_heavy_atoms: | 17 |
| TPSA: | 89.51 | NumAromaticRings: | 2 |
