Glycoside
GD153973
Name:
NoneFormula:
C37H61O27N3Smiles:
CC(O)=NC1C(O)CC(OCC2OC(O)C(N=C(C)O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(O)COAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(CO)CO.COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1Sugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.86 |
| AlogP: | -8.14 | Num_rotatable_bonds: | 20 |
| MolWt: | 979.89 | Num_heavy_atoms: | 67 |
| TPSA: | 499.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD46866
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 169.27 | NumAromaticRings: | 0 |
AD59323
Formula: C12H21O9N
Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(CO)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 180.27 | NumAromaticRings: | 0 |
