Glycoside
...
GD126502

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

Formula:
C86H78O43

Smiles:
O=C(OC1C(c2ccc(O)c(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C2c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)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: 43 RingCount: 16
HBD: 31 FractionCSP3: 0.28
AlogP: 2.51 Num_rotatable_bonds: 17
MolWt: 1799.53 Num_heavy_atoms: 129
TPSA: 753.57 NumAromaticRings: 10

Unique Aglycone
AD51192
Formula: C74H58O33

Smiles:
O=C(OC1C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1
HBA: 33 RingCount: 14
HBD: 25 FractionCSP3: 0.16
AlogP: 7.56 Num_rotatable_bonds: 11
MolWt: 1475.25 Num_heavy_atoms: 107
TPSA: 595.27 NumAromaticRings: 10

Sugarmoiety
SD00019

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