Glycoside
...
GD030997

Name:
ARDIMERIN DIGALLATE

Formula:
C42H40O26

Smiles:
COc1c([C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)cc2c(c1O)OC(=O)c1cc([C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c1OC2=O

Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc2c(c1O)OC(=O)c1ccc(OC)c(O)c1OC2=O

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

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 14 FractionCSP3: 0.33
AlogP: -1.14 Num_rotatable_bonds: 10
MolWt: 960.76 Num_heavy_atoms: 68
TPSA: 425.34 NumAromaticRings: 4

Unique Aglycone
AD00121
Formula: C8H8O5

Smiles:
COC(=O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.59 Num_rotatable_bonds: 1
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1
AD17350
Formula: C16H12O8

Smiles:
COc1ccc2c(c1O)OC(=O)c1ccc(OC)c(O)c1OC2=O
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 332.26 Num_heavy_atoms: 24
TPSA: 111.52 NumAromaticRings: 2

Sugarmoiety
SD00041

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