Glycoside
...
GD013416

Name:
None

Formula:
C44H72O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)C[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C[C@H](O)[C@@H]4[C@H](C(C)=CCC=C(C)C)CC[C@]45C)C3(C)C)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C.COC(C)=O

Sugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 8 FractionCSP3: 0.89
AlogP: 2.5 Num_rotatable_bonds: 10
MolWt: 825.05 Num_heavy_atoms: 58
TPSA: 225.06 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD10013
Formula: C30H50O3

Smiles:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.87
AlogP: 6.28 Num_rotatable_bonds: 3
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD01057

OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O