Glycoside
...
GD123992

Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one

Formula:
C39H52O24

Smiles:
CC1OC(OCC2OC(OC3C(OC4C(=O)c5c(O)cc(OC6OC(C)C(O)C(O)C6O)cc5OC4c4ccc(O)cc4)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 14 FractionCSP3: 0.67
AlogP: -5.52 Num_rotatable_bonds: 11
MolWt: 904.82 Num_heavy_atoms: 63
TPSA: 383.36 NumAromaticRings: 2

Unique Aglycone
AD04886
Formula: C15H12O6

Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.13
AlogP: 1.48 Num_rotatable_bonds: 1
MolWt: 288.25 Num_heavy_atoms: 21
TPSA: 107.22 NumAromaticRings: 2

Sugarmoiety
SD06245

CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O