Glycoside
...
GD031223

Name:
None

Formula:
C41H38O17Br4

Smiles:
COc1cc(C(=O)OC2OC[C@H](OC(=O)c3cc(Br)c(OC)c(OC)c3)[C@H](OC(=O)c3cc(Br)c(OC)c(OC)c3)[C@H]2OC(=O)c2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC

Aglycone:
COc1cc(C(=O)O)cc(Br)c1OC.COc1cc(C(=O)O)cc(Br)c1OC.COc1cc(C(=O)O)cc(Br)c1OC.COc1cc(C(=O)O)cc(Br)c1OC

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 0 FractionCSP3: 0.32
AlogP: 8.0 Num_rotatable_bonds: 16
MolWt: 1122.35 Num_heavy_atoms: 62
TPSA: 188.27 NumAromaticRings: 4

Unique Aglycone
AD20129
Formula: C9H9O4Br

Smiles:
COc1cc(C(=O)O)cc(Br)c1OC
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 2.16 Num_rotatable_bonds: 3
MolWt: 261.07 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O