Glycoside
...
GD008242

Name:
LITSEAEFOLOSIDE C

Formula:
C30H30O14

Smiles:
COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](COC(=O)C=Cc4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]3O)c(O)c2)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.27
AlogP: 1.32 Num_rotatable_bonds: 10
MolWt: 614.56 Num_heavy_atoms: 44
TPSA: 221.9 NumAromaticRings: 3

Unique Aglycone
AD02905
Formula: C15H14O6

Smiles:
COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.13
AlogP: 2.17 Num_rotatable_bonds: 4
MolWt: 290.27 Num_heavy_atoms: 21
TPSA: 96.22 NumAromaticRings: 2
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

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O