Glycoside
...
GD149644

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

Formula:
C86H78O42

Smiles:
O=C(OC1Cc2c(OC3OC(CO)C(O)C(O)C3O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(OC9OC(CO)C(O)C(O)C9O)cc8OC(c8ccc(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6ccc(O)c(O)c6)C5O)c4OC(c4ccc(O)c(O)c4)C3O)c2OC1c1ccc(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)cc8OC(c8ccc(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6ccc(O)c(O)c6)C5O)c4OC(c4ccc(O)c(O)c4)C3O)c2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

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

Other Identifiers

Properties
HBA: 42 RingCount: 16
HBD: 30 FractionCSP3: 0.28
AlogP: 2.8 Num_rotatable_bonds: 17
MolWt: 1783.53 Num_heavy_atoms: 128
TPSA: 733.34 NumAromaticRings: 10

Unique Aglycone
AD59822
Formula: C74H58O32

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)cc8OC(c8ccc(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6ccc(O)c(O)c6)C5O)c4OC(c4ccc(O)c(O)c4)C3O)c2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 32 RingCount: 14
HBD: 24 FractionCSP3: 0.16
AlogP: 7.86 Num_rotatable_bonds: 11
MolWt: 1459.25 Num_heavy_atoms: 106
TPSA: 575.04 NumAromaticRings: 10

Sugarmoiety
SD00019

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