Glycoside
...
GD034694

Name:
None

Formula:
C65H64O28

Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@]3(COC(=O)C=Cc4ccc(OC(C)=O)cc4)O[C@H](COC(=O)C=Cc4ccc(OC(C)=O)cc4)[C@H](OC(C)=O)[C@H]3OC(=O)C=Cc3ccc(OC(C)=O)cc3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)ccc1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(C=CC(=O)O)cc1.COC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1.COC(=O)C=Cc1ccc(OC(C)=O)cc1.COC(=O)C=Cc1ccc(OC(C)=O)cc1

Sugarmoiety:
CC(=O)OC1OC(CO)(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC1O

Other Identifiers

Properties
HBA: 28 RingCount: 6
HBD: 0 FractionCSP3: 0.32
AlogP: 5.65 Num_rotatable_bonds: 26
MolWt: 1293.2 Num_heavy_atoms: 93
TPSA: 352.52 NumAromaticRings: 4

Unique Aglycone
AD07617
Formula: C11H10O4

Smiles:
CC(=O)Oc1ccc(C=CC(=O)O)cc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.09
AlogP: 1.71 Num_rotatable_bonds: 3
MolWt: 206.2 Num_heavy_atoms: 15
TPSA: 63.6 NumAromaticRings: 1
AD07618
Formula: C12H12O4

Smiles:
COC(=O)C=Cc1ccc(OC(C)=O)cc1
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.17
AlogP: 1.8 Num_rotatable_bonds: 3
MolWt: 220.22 Num_heavy_atoms: 16
TPSA: 52.6 NumAromaticRings: 1
AD08886
Formula: C13H14O5

Smiles:
COC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.23
AlogP: 1.81 Num_rotatable_bonds: 4
MolWt: 250.25 Num_heavy_atoms: 18
TPSA: 61.83 NumAromaticRings: 1

Sugarmoiety
SD03173

CC(=O)OC1OC(CO)(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC1O