Glycoside
...
GD020150

Name:
None

Formula:
C35H38O16

Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3OC=C[C@@H]4[C@H](OC(=O)C=Cc5ccc(O)c(OC)c5)[C@@H]5O[C@@]5(CO)[C@H]34)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 6 FractionCSP3: 0.43
AlogP: 0.37 Num_rotatable_bonds: 12
MolWt: 714.67 Num_heavy_atoms: 51
TPSA: 232.66 NumAromaticRings: 2

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
AD04098
Formula: C19H20O8

Smiles:
COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1O
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.42
AlogP: 0.56 Num_rotatable_bonds: 5
MolWt: 376.36 Num_heavy_atoms: 27
TPSA: 117.98 NumAromaticRings: 1

Sugarmoiety
SD00017

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