Glycoside
...
GD026403

Name:
None

Formula:
C47H76O19

Smiles:
CC(=O)O[C@@H]1C[C@@H]2[C@@H]3C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@H](C)[C@H]4[C@@]3(C)CC[C@H]2[C@]2(C)C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C[C@H]12

Aglycone:
CC(=O)OC1CC2C(CCC3(C)C2CC2OC4(CCC(C)CO4)C(C)C23)C2(C)CC(O)C(O)CC12

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 9 FractionCSP3: 0.98
AlogP: -0.17 Num_rotatable_bonds: 8
MolWt: 945.11 Num_heavy_atoms: 66
TPSA: 282.21 NumAromaticRings: 0

Unique Aglycone
AD17407
Formula: C29H46O6

Smiles:
CC(=O)OC1CC2C(CCC3(C)C2CC2OC4(CCC(C)CO4)C(C)C23)C2(C)CC(O)C(O)CC12
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.97
AlogP: 4.31 Num_rotatable_bonds: 1
MolWt: 490.68 Num_heavy_atoms: 35
TPSA: 85.22 NumAromaticRings: 0

Sugarmoiety
SD00209

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O