Glycoside
...
GD009293

Name:
None

Formula:
C38H46O21

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1

Sugarmoiety:
CC(=O)OCC1OC(OC2C(O)OC(COC3OC(C)C(O)OC3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 8 FractionCSP3: 0.55
AlogP: -1.83 Num_rotatable_bonds: 12
MolWt: 838.77 Num_heavy_atoms: 59
TPSA: 309.26 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02166
Formula: C16H12O5

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 2.88 Num_rotatable_bonds: 2
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 79.9 NumAromaticRings: 3

Sugarmoiety
SD01444

CC(=O)OCC1OC(OC2C(O)OC(COC3OC(C)C(O)OC3O)C(O)C2O)C(O)C(O)C1O