Glycoside
...
GD032091

Name:
None

Formula:
C44H72O18

Smiles:
C[C@H](CC=C1O[C@@H]2C[C@@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@]1(C)O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(CO)CC=C1OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1(C)O

Sugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.95
AlogP: -1.22 Num_rotatable_bonds: 10
MolWt: 889.04 Num_heavy_atoms: 62
TPSA: 287.14 NumAromaticRings: 0

Unique Aglycone
AD20607
Formula: C27H44O5

Smiles:
CC(CO)CC=C1OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1(C)O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 3.64 Num_rotatable_bonds: 3
MolWt: 448.64 Num_heavy_atoms: 32
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD01216

CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O