Glycoside
...
GD014014

Name:
None

Formula:
C37H38O18

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=C[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=CC1O.COC(C)=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 2 FractionCSP3: 0.41
AlogP: 2.56 Num_rotatable_bonds: 12
MolWt: 770.69 Num_heavy_atoms: 55
TPSA: 239.09 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
AD10379
Formula: C23H20O9

Smiles:
CC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=CC1O
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.22
AlogP: 2.46 Num_rotatable_bonds: 5
MolWt: 440.4 Num_heavy_atoms: 32
TPSA: 135.66 NumAromaticRings: 3

Sugarmoiety
SD00012

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