Glycoside
GD002525
Name:
NoneFormula:
C17H17O7N3Smiles:
N#Cc1c(-c2ccccc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=OAglycone:
N#Cc1c(-c2ccccc2)[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: | -1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 375.34 | Num_heavy_atoms: | 27 |
| TPSA: | 168.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD02400
Formula: C11H7O2N3
Smiles:
N#Cc1c(-c2ccccc2)[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.2 | Num_heavy_atoms: | 16 |
| TPSA: | 89.51 | NumAromaticRings: | 2 |
