Glycoside
...
GD131016

Name:
2-[2',3',4,4',5,6-hexahydroxy-6'-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-[1,1'-biphenyl]-2-yl]-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Formula:
C36H32O20

Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2-c2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c2O)oc2cc(O)cc(O)c12

Aglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2-c2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c2O)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 15 FractionCSP3: 0.25
AlogP: 0.4 Num_rotatable_bonds: 6
MolWt: 784.63 Num_heavy_atoms: 56
TPSA: 361.35 NumAromaticRings: 5

Unique Aglycone
AD53092
Formula: C30H22O15

Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2-c2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c2O)oc2cc(O)cc(O)c12
HBA: 15 RingCount: 6
HBD: 12 FractionCSP3: 0.1
AlogP: 2.93 Num_rotatable_bonds: 3
MolWt: 622.49 Num_heavy_atoms: 45
TPSA: 282.2 NumAromaticRings: 5

Sugarmoiety
SD00003

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