Glycoside
...
GD019304

Name:
None

Formula:
C53H88O22

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC[C@]57OC(O)[C@]8(CCC(C)(C)C[C@@H]85)[C@H](O)C[C@]76C)C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CCC23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3C1

Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 10
HBD: 13 FractionCSP3: 1.0
AlogP: -1.37 Num_rotatable_bonds: 10
MolWt: 1077.27 Num_heavy_atoms: 75
TPSA: 346.06 NumAromaticRings: 0

Unique Aglycone
AD09861
Formula: C30H50O4

Smiles:
CC1(C)CCC23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3C1
HBA: 4 RingCount: 6
HBD: 3 FractionCSP3: 1.0
AlogP: 5.67 Num_rotatable_bonds: 0
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 69.92 NumAromaticRings: 0

Sugarmoiety
SD00641

CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O