Glycoside
GD106808
Name:
NoneFormula:
C23H26O10N4Smiles:
CO[C@H]1O[C@H](Cn2[nH][nH]c3c(=O)n(-c4ccccc4)c(=O)c2=3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
Cn1[nH][nH]c2c(=O)n(-c3ccccc3)c(=O)c1=2Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.48 | Num_heavy_atoms: | 37 |
| TPSA: | 172.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD44219
Formula: C11H10O2N4
Smiles:
Cn1[nH][nH]c2c(=O)n(-c3ccccc3)c(=O)c1=2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.23 | Num_heavy_atoms: | 17 |
| TPSA: | 75.58 | NumAromaticRings: | 1 |
