Glycoside
...
GD026019

Name:
7-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one

Formula:
C40H52O25

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](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O

Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 14 FractionCSP3: 0.62
AlogP: -5.44 Num_rotatable_bonds: 13
MolWt: 932.83 Num_heavy_atoms: 65
TPSA: 396.5 NumAromaticRings: 3

Unique Aglycone
AD04393
Formula: C16H12O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD02689

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O