Glycoside

GD022361
Name:
NoneFormula:
C32H53O18NSmiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C[C@H]1OCC(=O)OAglycone:
CC(C)(C)OC(=O)C1CC(O)C(OCC(=O)O)CC1C(=O)OC(C)(C)CSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 3 |
HBD: | 8 | FractionCSP3: | 0.88 |
AlogP: | -2.68 | Num_rotatable_bonds: | 12 |
MolWt: | 739.77 | Num_heavy_atoms: | 51 |
TPSA: | 286.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD15168
Formula: C18H30O8
Smiles:
CC(C)(C)OC(=O)C1CC(O)C(OCC(=O)O)CC1C(=O)OC(C)(C)CHBA: | 8 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.83 |
AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
MolWt: | 374.43 | Num_heavy_atoms: | 26 |
TPSA: | 119.36 | NumAromaticRings: | 0 |