Glycoside
...
GD027921

Name:
None

Formula:
C54H92O22

Smiles:
C[C@H]1[C@H](C)CC[C@]2(C)CC[C@@]3(C)[C@@H](C[C@H](O)[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12

Aglycone:
CC1CCC2(C)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 14 FractionCSP3: 1.0
AlogP: -1.63 Num_rotatable_bonds: 12
MolWt: 1093.31 Num_heavy_atoms: 76
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD18302
Formula: C30H52O2

Smiles:
CC1CCC2(C)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
HBA: 2 RingCount: 5
HBD: 2 FractionCSP3: 1.0
AlogP: 7.08 Num_rotatable_bonds: 0
MolWt: 444.74 Num_heavy_atoms: 32
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD00763

OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O