Glycoside
...
GD019452

Name:
None

Formula:
C48H80O16

Smiles:
CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)[C@H](O[C@@H]5O[C@H](CO[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](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12C

Aglycone:
CC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3CCC12C

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 10 FractionCSP3: 0.92
AlogP: 1.81 Num_rotatable_bonds: 13
MolWt: 913.15 Num_heavy_atoms: 64
TPSA: 257.68 NumAromaticRings: 0

Unique Aglycone
AD13575
Formula: C30H50O

Smiles:
CC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3CCC12C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.87
AlogP: 8.34 Num_rotatable_bonds: 4
MolWt: 426.73 Num_heavy_atoms: 31
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00460

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