Glycoside
...
GD023002

Name:
ERYLOSIDE F1

Formula:
C42H68O12

Smiles:
C=C(CC[C@H](C)[C@@H]1CC[C@]2(C(=O)O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)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:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 7 FractionCSP3: 0.88
AlogP: 4.08 Num_rotatable_bonds: 11
MolWt: 764.99 Num_heavy_atoms: 54
TPSA: 195.6 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
SD00347

OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O