Glycoside
...
GD115970

Name:
4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5-hydroxy-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Formula:
C62H64O37

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(OC5OC(COC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)cc4OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 11
HBD: 25 FractionCSP3: 0.39
AlogP: -2.51 Num_rotatable_bonds: 16
MolWt: 1401.16 Num_heavy_atoms: 99
TPSA: 632.19 NumAromaticRings: 6

Unique Aglycone
AD45968
Formula: C44H34O22

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 22 RingCount: 8
HBD: 16 FractionCSP3: 0.14
AlogP: 4.37 Num_rotatable_bonds: 7
MolWt: 914.73 Num_heavy_atoms: 66
TPSA: 394.74 NumAromaticRings: 6

Sugarmoiety
SD00460

OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O