Glycoside
...
GD130689

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

Formula:
C102H84O52

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(OC%11OC(CO)C(O)C(O)C%11O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8cc(O)c(O)c(O)c8)C7O)c6OC(c6cc(O)c(O)c(O)c6)C5O)c4OC(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)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8cc(O)c(O)c(O)c8)C7O)c6OC(c6cc(O)c(O)c(O)c6)C5O)c4OC(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(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 52 RingCount: 19
HBD: 39 FractionCSP3: 0.21
AlogP: 6.29 Num_rotatable_bonds: 18
MolWt: 2141.74 Num_heavy_atoms: 154
TPSA: 932.48 NumAromaticRings: 13

Unique Aglycone
AD52957
Formula: C96H74O47

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8cc(O)c(O)c(O)c8)C7O)c6OC(c6cc(O)c(O)c(O)c6)C5O)c4OC(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: 47 RingCount: 18
HBD: 36 FractionCSP3: 0.16
AlogP: 8.81 Num_rotatable_bonds: 15
MolWt: 1979.6 Num_heavy_atoms: 143
TPSA: 853.33 NumAromaticRings: 13

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O