Glycoside
...
GD017170

Name:
ISOVERBASCOSIDE NOAACETATE

Formula:
C47H54O24

Smiles:
CC(=O)Oc1ccc(C=CC(=O)OC[C@@H]2O[C@H](OCCc3ccc(OC(C)=O)c(OC(C)=O)c3)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)cc1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(CCO)cc1OC(C)=O.COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(O)OC(O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 0 FractionCSP3: 0.49
AlogP: 2.72 Num_rotatable_bonds: 19
MolWt: 1002.93 Num_heavy_atoms: 71
TPSA: 299.92 NumAromaticRings: 2

Unique Aglycone
AD12286
Formula: C12H14O5

Smiles:
CC(=O)Oc1ccc(CCO)cc1OC(C)=O
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: 1.07 Num_rotatable_bonds: 4
MolWt: 238.24 Num_heavy_atoms: 17
TPSA: 72.83 NumAromaticRings: 1
AD12287
Formula: C14H14O6

Smiles:
COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1
HBA: 6 RingCount: 1
HBD: 0 FractionCSP3: 0.21
AlogP: 1.72 Num_rotatable_bonds: 4
MolWt: 278.26 Num_heavy_atoms: 20
TPSA: 78.9 NumAromaticRings: 1

Sugarmoiety
SD02124

CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(O)OC(O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O