Glycoside
GD021086
Name:
NoneFormula:
C22H38O13N4Smiles:
CNC1=N[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3N)[C@@H](CO)[C@H]2O1Aglycone:
CNC1=NC2C(O)C(O)C(CO)C2O1Sugarmoiety:
CC(=O)NC1C(OC2C(CO)OC(O)C(N)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | -6.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.56 | Num_heavy_atoms: | 39 |
| TPSA: | 267.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD06968
Formula: C8H14O4N2
Smiles:
CNC1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.21 | Num_heavy_atoms: | 14 |
| TPSA: | 94.31 | NumAromaticRings: | 0 |
