Glycoside
GD009881
Name:
NoneFormula:
C35H34O10N8SSmiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=NNc1ncnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3)OC(C)=OAglycone:
C=NNc1ncnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 758.77 | Num_heavy_atoms: | 54 |
| TPSA: | 225.27 | NumAromaticRings: | 5 |
Unique Aglycone
AD03155
Formula: C20H14N8S
Smiles:
C=NNc1ncnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.46 | Num_heavy_atoms: | 29 |
| TPSA: | 93.77 | NumAromaticRings: | 5 |
