Glycoside
...
GD024689

Name:
None

Formula:
C53H57O27

Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3[C@H](Oc4cc5c(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc(O)cc5[o+]c4-c4ccc(O)c(OC)c4)O[C@H](COC(=O)C=Cc4ccc(O)c(O)c4)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 8
HBD: 14 FractionCSP3: 0.38
AlogP: -0.36 Num_rotatable_bonds: 18
MolWt: 1126.01 Num_heavy_atoms: 80
TPSA: 420.96 NumAromaticRings: 5

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD12764
Formula: C16H13O6

Smiles:
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.06
AlogP: 3.21 Num_rotatable_bonds: 2
MolWt: 301.27 Num_heavy_atoms: 22
TPSA: 101.45 NumAromaticRings: 3

Sugarmoiety
SD02605

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O