Glycoside
GD019190
Name:
NoneFormula:
C24H22O6N2Smiles:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=OAglycone:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.45 | Num_heavy_atoms: | 32 |
| TPSA: | 135.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD13432
Formula: C18H12ON2
Smiles:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.31 | Num_heavy_atoms: | 21 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
