Glycoside
...
GD013709

Name:
None

Formula:
C78H128O26

Smiles:
CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@H]4[C@@H](O[C@@H](C)[C@@H](OC)[C@H]4OC)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]2OC)O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)CC)[C@H](OC)[C@H]2OC(=O)C=Cc2ccccc2)[C@H]1O[C@@H]1O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]1OC

Aglycone:
CCC(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2OC)OC2C(O1)OC(C)C(OC)C2OC.CCCCCCCCCCCC(=O)O.O=C(O)C=Cc1ccccc1

Sugarmoiety:
COCC1OC(OC2C(O)C(O)OC(C)C2OC2OC(C)C(O)C(OC)C2O)C(OC)C(OC)C1OC

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 0 FractionCSP3: 0.85
AlogP: 11.16 Num_rotatable_bonds: 35
MolWt: 1481.86 Num_heavy_atoms: 104
TPSA: 271.34 NumAromaticRings: 1

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD00188
Formula: C12H24O2

Smiles:
CCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 37.3 NumAromaticRings: 0
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD10185
Formula: C31H56O10

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2OC)OC2C(O1)OC(C)C(OC)C2OC
HBA: 10 RingCount: 3
HBD: 1 FractionCSP3: 0.97
AlogP: 4.67 Num_rotatable_bonds: 7
MolWt: 588.78 Num_heavy_atoms: 41
TPSA: 111.14 NumAromaticRings: 0

Sugarmoiety
SD01857

COCC1OC(OC2C(O)C(O)OC(C)C2OC2OC(C)C(O)C(OC)C2O)C(OC)C(OC)C1OC