Glycoside
...
GD132956

Name:
6-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula:
C38H40O18

Smiles:
COc1cc(C=CC(=O)OC2C(OC3C(CO)OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C3O)CC(CO)C(O)C2O)ccc1O

Aglycone:
COc1cc(C=CC(=O)OC2C(O)CC(CO)C(O)C2O)ccc1O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 10 FractionCSP3: 0.37
AlogP: 0.22 Num_rotatable_bonds: 11
MolWt: 784.72 Num_heavy_atoms: 56
TPSA: 295.73 NumAromaticRings: 4

Unique Aglycone
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3
AD53826
Formula: C17H22O8

Smiles:
COc1cc(C=CC(=O)OC2C(O)CC(CO)C(O)C2O)ccc1O
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.47
AlogP: -0.58 Num_rotatable_bonds: 5
MolWt: 354.36 Num_heavy_atoms: 25
TPSA: 136.68 NumAromaticRings: 1

Sugarmoiety
SD00003

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