Glycoside
GD000810
Name:
NoneFormula:
C30H26O9N4SSmiles:
CC(=O)O[C@@H]1O[C@H](Sc2nc(N)c(C#N)c(-c3ccc4ccccc4c3)c2C#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc2ccccc2c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 618.62 | Num_heavy_atoms: | 44 |
| TPSA: | 200.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD00298
Formula: C17H10N4S
Smiles:
N#Cc1c(N)nc(S)c(C#N)c1-c1ccc2ccccc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.36 | Num_heavy_atoms: | 22 |
| TPSA: | 86.49 | NumAromaticRings: | 3 |
