Glycoside
GD007392
Name:
NoneFormula:
C27H32O11N4Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(Cn1c2nc(=O)n(CCO)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=OAglycone:
Cc1cc2nc3c(=O)n(CCO)c(=O)nc-3n(C)c2cc1CSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 588.57 | Num_heavy_atoms: | 42 |
| TPSA: | 195.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD06026
Formula: C15H16O3N4
Smiles:
Cc1cc2nc3c(=O)n(CCO)c(=O)nc-3n(C)c2cc1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.32 | Num_heavy_atoms: | 22 |
| TPSA: | 90.01 | NumAromaticRings: | 1 |
