Glycoside
...
GD021971

Name:
Pectolinarin

Formula:
C29H34O15

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4OC(COC5OC(C)C(O)C(O)[C@H]5O)C(O)C(O)C4O)cc3o2)cc1

Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 7 FractionCSP3: 0.48
AlogP: -0.79 Num_rotatable_bonds: 8
MolWt: 622.58 Num_heavy_atoms: 44
TPSA: 227.2 NumAromaticRings: 3

Unique Aglycone
AD00146
Formula: C17H14O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.89 Num_rotatable_bonds: 3
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 89.13 NumAromaticRings: 3

Sugarmoiety
SD00038

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O