Glycoside
...
GD000297

Name:
None

Formula:
C48H78O21

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](O[C@@H]2[C@@H]3O[C@H](CO)[C@H](O)[C@H]2OC(=O)CCCCCCCCC[C@H](CCC)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O3)O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)C(C)=CC)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
CC=C(C)C(=O)O.CC=C(C)C(=O)O.CCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 7 FractionCSP3: 0.85
AlogP: 1.64 Num_rotatable_bonds: 11
MolWt: 991.13 Num_heavy_atoms: 69
TPSA: 294.35 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD00343
Formula: C26H46O11

Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.96
AlogP: 0.9 Num_rotatable_bonds: 3
MolWt: 534.64 Num_heavy_atoms: 37
TPSA: 164.37 NumAromaticRings: 0

Sugarmoiety
SD00127

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