Glycoside

GD033353
Name:
NoneFormula:
C25H42O19N2Smiles:
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)COAglycone:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
CC(=O)NC(C=O)C(O)C(OC1OC(O)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
HBA: | 21 | RingCount: | 2 |
HBD: | 13 | FractionCSP3: | 0.84 |
AlogP: | -8.24 | Num_rotatable_bonds: | 16 |
MolWt: | 674.61 | Num_heavy_atoms: | 46 |
TPSA: | 351.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD04680
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1HBA: | 10 | RingCount: | 1 |
HBD: | 6 | FractionCSP3: | 0.83 |
AlogP: | -3.22 | Num_rotatable_bonds: | 6 |
MolWt: | 323.3 | Num_heavy_atoms: | 22 |
TPSA: | 165.78 | NumAromaticRings: | 0 |