Glycoside
...
GD016647

Name:
(25R)-5Beta-Spirostan-3Beta-Ol 3-O-Beta-D-Glucopyranosyl-(1-6)-[Beta-D-Gl+

Formula:
C51H84O23

Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 13 FractionCSP3: 1.0
AlogP: -2.91 Num_rotatable_bonds: 12
MolWt: 1065.21 Num_heavy_atoms: 74
TPSA: 355.29 NumAromaticRings: 0

Unique Aglycone
AD01572
Formula: C27H44O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 1.0
AlogP: 5.79 Num_rotatable_bonds: 0
MolWt: 416.65 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0

Sugarmoiety
SD02081

OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O