Glycoside
...
GD141369

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

Formula:
C54H58O31

Smiles:
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(Oc5cc(-c6oc7cc(O)cc(O)c7c(=O)c6OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)ccc5O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
O=c1c(O)c(-c2ccc(O)c(Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O)c2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 31 RingCount: 10
HBD: 18 FractionCSP3: 0.44
AlogP: -2.68 Num_rotatable_bonds: 14
MolWt: 1203.03 Num_heavy_atoms: 85
TPSA: 507.63 NumAromaticRings: 6

Unique Aglycone
AD52214
Formula: C30H18O13

Smiles:
O=c1c(O)c(-c2ccc(O)c(Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O)c2)oc2cc(O)cc(O)c12
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.0
AlogP: 4.67 Num_rotatable_bonds: 4
MolWt: 586.46 Num_heavy_atoms: 43
TPSA: 231.49 NumAromaticRings: 6

Sugarmoiety
SD01202

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