Glycoside
...
GD140750

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

Formula:
C51H48O23

Smiles:
OCC1OC(OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)c(C6c7c(O)cc(O)cc7OC(c7ccc(O)c(O)c7)C6O)c5OC(c5ccc(O)c(O)c5)C4O)c3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O

Aglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2

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

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 18 FractionCSP3: 0.29
AlogP: 2.27 Num_rotatable_bonds: 8
MolWt: 1028.92 Num_heavy_atoms: 74
TPSA: 410.29 NumAromaticRings: 6

Unique Aglycone
AD56745
Formula: C45H38O18

Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2
HBA: 18 RingCount: 9
HBD: 15 FractionCSP3: 0.2
AlogP: 4.44 Num_rotatable_bonds: 5
MolWt: 866.78 Num_heavy_atoms: 63
TPSA: 331.14 NumAromaticRings: 6

Sugarmoiety
SD00003

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