Glycoside
GD148224
Name:
NoneFormula:
C26H44O19N2Smiles:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)CO)O3)C2O)C1OAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(CO)COSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | -6.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 688.63 | Num_heavy_atoms: | 47 |
| TPSA: | 350.93 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
