Glycoside
...
GD008499

Name:
ERYLOSIDE H

Formula:
C49H79O16N

Smiles:
C=C(CC[C@H](C)[C@@H]1CC[C@]2(C(=O)O)C3=C(CC[C@]12C)[C@]1(C)CCC(O[C@@H]2OC[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(C)(C)[C@H]1CC3)C(C)C

Aglycone:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C

Sugarmoiety:
CC(=O)NC1C(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 9 FractionCSP3: 0.88
AlogP: 2.68 Num_rotatable_bonds: 14
MolWt: 938.16 Num_heavy_atoms: 66
TPSA: 263.39 NumAromaticRings: 0

Unique Aglycone
AD05182
Formula: C31H50O3

Smiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.84
AlogP: 7.79 Num_rotatable_bonds: 6
MolWt: 470.74 Num_heavy_atoms: 34
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD01369

CC(=O)NC1C(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)OC(CO)C(O)C1O