Glycoside
...
GD131772

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1-{3,4,5-trihydroxy-6-[(1,6,7-trihydroxy-9-oxo-9H-xanthen-2-yl)oxy]oxan-2-yl}methyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

Formula:
C45H50O19

Smiles:
CC(C=CC=C(C)C(=O)OCC1OC(Oc2ccc3oc4cc(O)c(O)cc4c(=O)c3c2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O

Aglycone:
COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)O.O=c1c2cc(O)c(O)cc2oc2ccc(O)c(O)c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 10 FractionCSP3: 0.36
AlogP: 1.59 Num_rotatable_bonds: 14
MolWt: 894.88 Num_heavy_atoms: 64
TPSA: 312.8 NumAromaticRings: 3

Unique Aglycone
AD45683
Formula: C21H26O4

Smiles:
COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.24
AlogP: 4.7 Num_rotatable_bonds: 8
MolWt: 342.44 Num_heavy_atoms: 25
TPSA: 63.6 NumAromaticRings: 0
AD53372
Formula: C13H8O6

Smiles:
O=c1c2cc(O)c(O)cc2oc2ccc(O)c(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 1.77 Num_rotatable_bonds: 0
MolWt: 260.2 Num_heavy_atoms: 19
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD00628

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O