Glycoside
...
GD031580

Name:
None

Formula:
C39H68O19

Smiles:
CCCCC[C@H](O)CCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2C(O)O[C@H](COC(C)=O)[C@H](O)[C@H]2O)O[C@H](C)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(O)C(C)C(=O)O.CCCCCC(O)CCCCCCCC(=O)O.COC(C)=O

Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(O)OC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 8 FractionCSP3: 0.92
AlogP: -0.16 Num_rotatable_bonds: 22
MolWt: 840.95 Num_heavy_atoms: 58
TPSA: 286.89 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
AD02264
Formula: C5H10O3

Smiles:
CC(O)C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.09 Num_rotatable_bonds: 2
MolWt: 118.13 Num_heavy_atoms: 8
TPSA: 57.53 NumAromaticRings: 0
AD20333
Formula: C14H28O3

Smiles:
CCCCCC(O)CCCCCCCC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 3.74 Num_rotatable_bonds: 12
MolWt: 244.37 Num_heavy_atoms: 17
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD02661

CC1OC(OC2C(O)C(C)OC(OC3C(O)OC(O)C(O)C3O)C2O)C(O)C(O)C1O